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1370261-97-4 | 5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[3-(2H-1,2,3-triazol-2-yl)phenyl]amino]-, hydrochloride (1:1)
CAS No: 1370261-97-4 Catalog No: AG0012PY MDL No:MFCD25976708
Product Description
Catalog Number:
AG0012PY
Chemical Name:
5-Pyrimidinecarboxamide, 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[3-(2H-1,2,3-triazol-2-yl)phenyl]amino]-, hydrochloride (1:1)
CAS Number:
1370261-97-4
Molecular Formula:
C19H24ClN9O
Molecular Weight:
429.9066
MDL Number:
MFCD25976708
IUPAC Name:
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;hydrochloride
InChI:
InChI=1S/C19H23N9O.ClH/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);1H/t15-,16+;/m0./s1
InChI Key:
RMNLLPXCNDZJMJ-IDVLALEDSA-N
SMILES:
N[C@H]1CCCC[C@H]1Nc1ncc(c(n1)Nc1cccc(c1)n1nccn1)C(=O)N.Cl
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
429.179g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
429.913g/mol
Monoisotopic Mass:
429.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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