2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one

C12H12ClN3O2 — CID 145173518

IUPAC2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2cccc(Cl)c2)c(N)nc1=O
InChIInChI=1S/C12H12ClN3O2/c1-18-10-7-16(12(14)15-11(10)17)6-8-3-2-4-9(13)5-8/h2-5,7H,6H2,1H3,(H2,14,15,17)
InChIKeyGGEJHDMGAZYTEX-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one

2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one (PubChem CID 145173518) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
PubChem CID145173518
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2cccc(Cl)c2)c(N)nc1=O
InChIInChI=1S/C12H12ClN3O2/c1-18-10-7-16(12(14)15-11(10)17)6-8-3-2-4-9(13)5-8/h2-5,7H,6H2,1H3,(H2,14,15,17)
InChIKeyGGEJHDMGAZYTEX-UHFFFAOYSA-N
XLogP1.54
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-ethylanilino)-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290957
1-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
CID 134290593
1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173694
1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290458
1-benzyl-2-[(3-chloro-2-methylphenyl)methylamino]-5-methoxypyrimidin-4-one
CID 134290212
1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
CID 145174083
1-benzyl-2-[3-chloro-2-(trifluoromethyl)phenyl]-5-methoxypyrimidin-4-one
CID 134565363
1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340365
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride
CID 67113669
1-[(3-chloro-4-fluorophenyl)methyl]-2-(4,5-dimethoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290266
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2-fluoro-3,6-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134469251

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one?
The IUPAC name of 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one (CID 145173518) is 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one?
The canonical SMILES for 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one is COc1cn(Cc2cccc(Cl)c2)c(N)nc1=O.
What is the InChIKey of 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one?
The InChIKey is GGEJHDMGAZYTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-18-10-7-16(12(14)15-11(10)17)6-8-3-2-4-9(13)5-8/h2-5,7H,6H2,1H3,(H2,14,15,17).
What are the key properties of 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one?
2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one has a molecular weight of 265.70 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 145173518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).