AG0012PZ

1370261-96-3 | 4-(3-(2H-1,2,3-Triazo-2-yl)phenylamino)-2-((1r,2s)-2-aminocyclohexylamino) pyrimidine-5-carboxamide acetate

AG0012PZ

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CAS Number	1370261-96-3
Catalog Number	AG0012PZ(AGN-PC-0WA94R)
Chemical Name	4-(3-(2H-1,2,3-Triazo-2-yl)phenylamino)-2-((1r,2s)-2-aminocyclohexylamino) pyrimidine-5-carboxamide acetate
IUPAC Name	2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
InChI	InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
InChI Key	TXGKRVFSSHPBAJ-JKSUJKDBSA-N
MDL Number	MFCD22580425
Molecular Formula	C19H23N9O
Molecular Weight	393.4456
SMILES	O=C(C1=CN=C(N[C@H]2[C@@H](N)CCCC2)N=C1NC3=CC=CC(N4N=CC=N4)=C3)N
UNII	K9C42672RH
Synonyms	4-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-2-(2-aminocyclohexylamino)pyrimidine-5-carboxamide, P505-15, PRT062607, PRT062607, PRT-062607, 1370261-96-3, UNII-K9C42672RH, CHEMBL2177736, K9C42672RH, P505-15, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[3-(2H-1,2,3-triazol-2-yl)phenyl]amino]-5-pyrimidinecarboxamide, 2-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-Triazol-2-Yl)phenyl]amino}pyrimidine-5-Carboxamide, 4-(3-(2H-1,2,3-Triazol-2-yl)phenylamino)-2-((1R,2S)-2-aminocyclohexylamino)pyrimidine-5-carboxamide, TXGKRVFSSHPBAJ-JKSUJKDBSA-N, BIIB057, SCHEMBL899872, BIIB-057, GTPL8070, 5-Pyrimidinecarboxamide, 2-(((1R,2S)-2-aminocyclohexyl)amino)-4-((3-(2H-1,2,3-triazol-2-yl)phenyl)amino)-, EX-A1592, KS-000007GC, BDBM50400047, ZINC95572830, AKOS025290289, CS-3535, PRT 062607, NCGC00351606-09, AK172489, HY-15322, P 505-15, BRD-K53734668-003-04-6, P505-15, PRT062607,PRT-2607, BIIB-057, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide, 4-((3-(2H-1,2,3-Triazol-2-yl)phenyl)amino)-2-(((1R,2S)-2-aminocyclohexyl)amino)pyrimidine-5-carboxamide, D0R9IU, PRT-2607, P-14276, P-505-15, Syk tyrosine kinase inhibitors (oral, cancers/inflammatory diseases/thrombosis), Portola, 1370261-97-4, 3YT,

Complexity	544
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	393.203g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	393.455g/mol
Monoisotopic Mass	393.203g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	150A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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