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145729-67-5 | 2(1H)-Pyrimidinone, 1-methyl-4-(methylamino)-5-propyl-
CAS No: 145729-67-5 Catalog No: AG001DCB MDL No:
Product Description
Catalog Number:
AG001DCB
Chemical Name:
2(1H)-Pyrimidinone, 1-methyl-4-(methylamino)-5-propyl-
CAS Number:
145729-67-5
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
IUPAC Name:
1-methyl-4-(methylamino)-5-propylpyrimidin-2-one
InChI:
InChI=1S/C9H15N3O/c1-4-5-7-6-12(3)9(13)11-8(7)10-2/h6H,4-5H2,1-3H3,(H,10,11,13)
InChI Key:
CPQWZYZQDAFCFM-UHFFFAOYSA-N
SMILES:
CCCc1cn(C)c(=O)nc1NC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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