AG000IVF

1194961-19-7 | 5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]-

AG000IVF

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CAS Number	1194961-19-7
Catalog Number	AG000IVF(AGN-PC-0WAMFY)
Chemical Name	5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]-
IUPAC Name	2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
InChI	InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
InChI Key	NZNTWOVDIXCHHS-LSDHHAIUSA-N
MDL Number	MFCD28155088
Molecular Formula	C18H24N6O
Molecular Weight	340.4228
SMILES	O=C(C1=CN=C(N[C@H]2[C@@H](N)CCCC2)N=C1NC3=CC=CC(C)=C3)N
Synonyms	2-(2-aminocyclohexylamino)-4-(m-tolylamino)pyrimidine-5-carboxamide, PRT 060318, PRT-060318, PRT060318, 1194961-19-7, PRT-060318, PRT-060318 (PRT318), PRT 318, 2-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(3-Methylphenyl)amino]pyrimidine-5-Carboxamide, CHEMBL1235110, PRT318, C18H24N6O, PRT-060318;PRT318;2-(((1R,2S)-2-aminocyclohexyl)amino)-4-(m-tolylamino)pyrimidine-5-carboxamide, 1194961-19-7 (free base), PRT 060318, NZNTWOVDIXCHHS-LSDHHAIUSA-N, SCHEMBL2386521, KS-00000TCX, SYN1204, EX-A1995, ZINC3941369, BDBM50396073, MFCD28155088, PRT060318, AKOS026674080, CS-6283, DB08361, PRT-060318(PRT318), PRT-060318; PRT318, AC-29038, AS-16333, HY-12974, P142-76, 2-(cis-2-aminocyclohexylamino)-4-(3-methylanilino)pyrimidine-5-carboxamide, 2-(((1R,2S)-2-Aminocyclohexyl)amino)-4-(m-tolylamino)pyrimidine-5-carboxamide, 5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(3-methylphenyl)amino]-, P5C, PRT-060318; PRT-060318 (PRT318); CHEMBL1235110; PRT 318; NZNTWOVDIXCHHS-LSDHHAIUSA-N, ACN-037527, CID11493841, PRT-060318 PRT318, 2-((1R,2S)-2-aminocyclohexylamino)-4-(m-tolylamino)pyrimidine-5-carboxamide, 2-[(2-aminocyclohexyl)amino]-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)pyrimidine-5-carboxamide,

Complexity	447
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	340.201g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	340.431g/mol
Monoisotopic Mass	340.201g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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