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1165936-29-7 | 4-Pyrimidinecarboxylic acid, 5-chloro-2-cyclopropyl-6-[methyl(4-pyridinylmethyl)amino]-
CAS No: 1165936-29-7 Catalog No: AG000CTY MDL No:
Product Description
Catalog Number:
AG000CTY
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-chloro-2-cyclopropyl-6-[methyl(4-pyridinylmethyl)amino]-
CAS Number:
1165936-29-7
Molecular Formula:
C15H15ClN4O2
Molecular Weight:
318.7582
IUPAC Name:
5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C15H15ClN4O2/c1-20(8-9-4-6-17-7-5-9)14-11(16)12(15(21)22)18-13(19-14)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,21,22)
InChI Key:
IQTWROODAHNBIX-UHFFFAOYSA-N
SMILES:
CN(c1nc(nc(c1Cl)C(=O)O)C1CC1)Cc1ccncc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.761g/mol
Monoisotopic Mass:
318.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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