AG005J69

696-83-3 | 6-Fluoropyrimidine-2,4-diamine

AG005J69

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CAS Number	696-83-3
Catalog Number	AG005J69(AGN-PC-0JQAD3)
Chemical Name	6-Fluoropyrimidine-2,4-diamine
IUPAC Name	6-fluoropyrimidine-2,4-diamine
InChI	InChI=1S/C4H5FN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChI Key	BOVQRQCKNKKBOR-UHFFFAOYSA-N
MDL Number	MFCD00219492
Molecular Formula	C4H5FN4
Molecular Weight	128.1077
NSC Number	527000
SMILES	NC1=NC(N)=CC(F)=N1
Synonyms	6-fluoropyrimidine-2,4-diamine, 696-83-3, 2,4-Diamino-6-fluoropyrimidine, AK-36136, NSC527000, PubChem7052, AC1L70KC, SCHEMBL17458015, CTK5D0905, KS-00000NXX, DTXSID70326320, 2,4-Pyrimidinediamine,6-fluoro-, BOVQRQCKNKKBOR-UHFFFAOYSA-N, 6-fluoranylpyrimidine-2,4-diamine, ZINC1083705, 2-amino-6-fluoro-4-pyrimidinylamine, FCH840553, MFCD00219492, STK368792, AKOS005444159, MCULE-6684300338, NSC-527000, QC-7175, VP50029, 2,4-DIAMINO-6-FLUORO PYRIMIDINE, AJ-24999, AN-47277, CC-07268, HC210100, ZB015987, AX8009425, DB-019870, ST2406497, 2,4-diamino-6-fluoropyrimidine, AldrichCPR, 4CH-003156, FT-0632833, ST50938740, 696D833, A836606, C-01112, I03-0304, CID352545, 2,4-Pyrimidinediamine, 6-fluoro- (9CI),

Complexity	98.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.05g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	128.11g/mol
Monoisotopic Mass	128.05g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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