6-[2-(4-Fluorophenyl)ethyl]-2,4-pyrimidinediamine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H13FN4
Molecular Weight	232.2568
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-[2-(4-Fluorophenyl)ethyl]-2,4-pyrimidinediamine

Structure Search

SMILES

NC1=CC(CCC2=CC=C(F)C=C2)=NC(N)=N1

InChI

InChIKey=FJLNGUMMTVVRME-UHFFFAOYSA-N

InChI=1S/C12H13FN4/c13-9-4-1-8(2-5-9)3-6-10-7-11(14)17-12(15)16-10/h1-2,4-5,7H,3,6H2,(H4,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C12H13FN4
Molecular Weight	232.2568
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:57:03 GMT 2025` Edited by `admin` on `Tue Apr 01 19:57:03 GMT 2025`
Record UNII	U9KGC85UZL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-61670

Preferred Name

English

6-[2-(4-Fluorophenyl)ethyl]-2,4-pyrimidinediamine

Systematic Name

English

2,4-Pyrimidinediamine, 6-[2-(4-fluorophenyl)ethyl]-

Systematic Name

English

Pyrimidine, 2,4-diamino-6-(p-fluorophenethyl)-

Systematic Name

English

Code System Code Type Description

NSC

61670

Created by admin on Tue Apr 01 19:57:03 GMT 2025 , Edited by admin on Tue Apr 01 19:57:03 GMT 2025

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PUBCHEM

247275

Created by admin on Tue Apr 01 19:57:03 GMT 2025 , Edited by admin on Tue Apr 01 19:57:03 GMT 2025

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FDA UNII

U9KGC85UZL

Created by admin on Tue Apr 01 19:57:03 GMT 2025 , Edited by admin on Tue Apr 01 19:57:03 GMT 2025

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CAS

2260-68-6

Created by admin on Tue Apr 01 19:57:03 GMT 2025 , Edited by admin on Tue Apr 01 19:57:03 GMT 2025

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EPA CompTox

DTXSID80177123

Created by admin on Tue Apr 01 19:57:03 GMT 2025 , Edited by admin on Tue Apr 01 19:57:03 GMT 2025

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