4-benzyl-2-methoxy-1H-pyrimidin-6-one

C12H12N2O2 — CID 135483738

IUPAC4-benzyl-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(Cc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-16-12-13-10(8-11(15)14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyXIEWHXKGCLBFSI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.37
Rot. Bonds3

About 4-benzyl-2-methoxy-1H-pyrimidin-6-one

4-benzyl-2-methoxy-1H-pyrimidin-6-one (PubChem CID 135483738) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-benzyl-2-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-benzyl-2-methoxy-1H-pyrimidin-6-one
PubChem CID135483738
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-benzyl-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(Cc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-16-12-13-10(8-11(15)14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyXIEWHXKGCLBFSI-UHFFFAOYSA-N
XLogP1.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2-butan-2-ylsulfanyl-1H-pyrimidin-6-one
CID 135402792
4-benzyl-2-(4-hydroxybutylsulfanyl)-1H-pyrimidin-6-one
CID 135471539
2-methoxy-4-[(triphenyl-λ5-phosphanylidene)amino]-1H-pyrimidin-6-one
CID 135489870
2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one
CID 135499514
4-benzyl-2-[[(2R)-2-(dimethylamino)-3-phenylpropyl]amino]-1H-pyrimidin-6-one
CID 146512786
2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136671273
2-benzylsulfanyl-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136684265
2-(4-chloroanilino)-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135682172
4-benzyl-2-[3-(4-hydroxyphenyl)propylamino]-1H-pyrimidin-6-one
CID 142400663
2-(2-phenylethylsulfanyl)-4-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 136687174
4-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 141462139
2-amino-4-[(3-bromophenyl)methyl]-1H-pyrimidin-6-one
CID 135966949

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-benzyl-2-methoxy-1H-pyrimidin-6-one (CID 135483738) is 4-benzyl-2-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-benzyl-2-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-benzyl-2-methoxy-1H-pyrimidin-6-one is COc1nc(Cc2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 4-benzyl-2-methoxy-1H-pyrimidin-6-one?
The InChIKey is XIEWHXKGCLBFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-12-13-10(8-11(15)14-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15).
What are the key properties of 4-benzyl-2-methoxy-1H-pyrimidin-6-one?
4-benzyl-2-methoxy-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 135483738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).