6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one

C29H21N3O2S — CID 71482694

IUPAC6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)Nc3ccccc3S4)nc(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C29H21N3O2S/c1-34-22-14-11-19(12-15-22)26-18-24(31-29(33)32(26)21-7-3-2-4-8-21)20-13-16-28-25(17-20)30-23-9-5-6-10-27(23)35-28/h2-18,30H,1H3
InChIKeyGSPAVUNMUJFWKO-UHFFFAOYSA-N
MW475.57 g/mol
LogP6.78
Rot. Bonds4

About 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one

6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one (PubChem CID 71482694) has the molecular formula C29H21N3O2S and a molecular weight of 475.57 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one
PubChem CID71482694
Molecular FormulaC29H21N3O2S
Molecular Weight475.57 g/mol
Exact Mass475.14
IUPAC Name6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)Nc3ccccc3S4)nc(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C29H21N3O2S/c1-34-22-14-11-19(12-15-22)26-18-24(31-29(33)32(26)21-7-3-2-4-8-21)20-13-16-28-25(17-20)30-23-9-5-6-10-27(23)35-28/h2-18,30H,1H3
InChIKeyGSPAVUNMUJFWKO-UHFFFAOYSA-N
XLogP6.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one (CID 71482694) is 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one is COc1ccc(-c2cc(-c3ccc4c(c3)Nc3ccccc3S4)nc(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one?
The InChIKey is GSPAVUNMUJFWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O2S/c1-34-22-14-11-19(12-15-22)26-18-24(31-29(33)32(26)21-7-3-2-4-8-21)20-13-16-28-25(17-20)30-23-9-5-6-10-27(23)35-28/h2-18,30H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one?
6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one has a molecular weight of 475.57 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-(10H-phenothiazin-2-yl)-1-phenylpyrimidin-2-one is sourced from PubChem (CID 71482694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).