1-benzyl-4-methoxy-6-methylpyrimidin-2-one

C13H14N2O2 — CID 10398957

IUPAC1-benzyl-4-methoxy-6-methylpyrimidin-2-one
SMILESCOc1cc(C)n(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C13H14N2O2/c1-10-8-12(17-2)14-13(16)15(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyULVISAQUQWDROT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.61
Rot. Bonds3

About 1-benzyl-4-methoxy-6-methylpyrimidin-2-one

1-benzyl-4-methoxy-6-methylpyrimidin-2-one (PubChem CID 10398957) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-benzyl-4-methoxy-6-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-methoxy-6-methylpyrimidin-2-one
PubChem CID10398957
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-benzyl-4-methoxy-6-methylpyrimidin-2-one
SMILESCOc1cc(C)n(Cc2ccccc2)c(=O)n1
InChIInChI=1S/C13H14N2O2/c1-10-8-12(17-2)14-13(16)15(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyULVISAQUQWDROT-UHFFFAOYSA-N
XLogP1.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benhepazone
CID 9689
1-benzyl-4-ethoxy-5-methylpyrimidin-2(1H)-one
CID 145998114
4-Ethoxy-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-one
CID 150662837
1-Benzylpyrimidin-2-one
CID 295903
1-Methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488042
1,4-Dimethyl-6-phenylpyrimidin-2(1H)-one
CID 12596967
1-benzyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1237986
1-Ethyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488050
1-Benzyl-4-methylpyrimidinone
CID 10420322
6-Benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
CID 134914509
1-[(2,6-Difluorophenyl)methyl]-4-methoxypyrimidin-2-one
CID 15867827
[4-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]-3-fluorophenyl]boronic acid
CID 61532761

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxy-6-methylpyrimidin-2-one?
The IUPAC name of 1-benzyl-4-methoxy-6-methylpyrimidin-2-one (CID 10398957) is 1-benzyl-4-methoxy-6-methylpyrimidin-2-one.
What is the SMILES notation for 1-benzyl-4-methoxy-6-methylpyrimidin-2-one?
The canonical SMILES for 1-benzyl-4-methoxy-6-methylpyrimidin-2-one is COc1cc(C)n(Cc2ccccc2)c(=O)n1.
What is the InChIKey of 1-benzyl-4-methoxy-6-methylpyrimidin-2-one?
The InChIKey is ULVISAQUQWDROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-8-12(17-2)14-13(16)15(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-benzyl-4-methoxy-6-methylpyrimidin-2-one?
1-benzyl-4-methoxy-6-methylpyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxy-6-methylpyrimidin-2-one is sourced from PubChem (CID 10398957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).