1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

C19H18N2O2 — CID 779663

IUPAC1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCOc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N2O2/c1-13-18(15-7-5-4-6-8-15)19(22)20-14(2)21(13)16-9-11-17(23-3)12-10-16/h4-12H,1-3H3
InChIKeyHDHVXHOMRGEEMV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (PubChem CID 779663) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
PubChem CID779663
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCOc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N2O2/c1-13-18(15-7-5-4-6-8-15)19(22)20-14(2)21(13)16-9-11-17(23-3)12-10-16/h4-12H,1-3H3
InChIKeyHDHVXHOMRGEEMV-UHFFFAOYSA-N
XLogP3.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (CID 779663) is 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is COc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The InChIKey is HDHVXHOMRGEEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-18(15-7-5-4-6-8-15)19(22)20-14(2)21(13)16-9-11-17(23-3)12-10-16/h4-12H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 779663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).