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81887-01-6 | 4(3H)-Pyrimidinone,2-amino-6-methyl-5-(2-propyn-1-yl)-
CAS No: 81887-01-6 Catalog No: AG005H0I MDL No:
Product Description
Catalog Number:
AG005H0I
Chemical Name:
4(3H)-Pyrimidinone,2-amino-6-methyl-5-(2-propyn-1-yl)-
CAS Number:
81887-01-6
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
IUPAC Name:
2-amino-4-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H9N3O/c1-3-4-6-5(2)10-8(9)11-7(6)12/h1H,4H2,2H3,(H3,9,10,11,12)
InChI Key:
JXNPWSZLCOTXSA-UHFFFAOYSA-N
SMILES:
C#CCc1c(C)[nH]c(nc1=O)N
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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