1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one

C30H29N3O2 — CID 4046155

IUPAC1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C30H29N3O2/c1-20-14-15-27-26(16-20)28(23-10-6-4-7-11-23)29(24-12-8-5-9-13-24)33(27)19-25(34)18-32-22(3)17-21(2)31-30(32)35/h4-17,25,34H,18-19H2,1-3H3
InChIKeyDMUHTGMBIFESBQ-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.52
Rot. Bonds6

About 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one

1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 4046155) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one
PubChem CID4046155
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)Cn1c(C)cc(C)nc1=O
InChIInChI=1S/C30H29N3O2/c1-20-14-15-27-26(16-20)28(23-10-6-4-7-11-23)29(24-12-8-5-9-13-24)33(27)19-25(34)18-32-22(3)17-21(2)31-30(32)35/h4-17,25,34H,18-19H2,1-3H3
InChIKeyDMUHTGMBIFESBQ-UHFFFAOYSA-N
XLogP5.52
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-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 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one (CID 4046155) is 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)Cn1c(C)cc(C)nc1=O.
What is the InChIKey of 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is DMUHTGMBIFESBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-20-14-15-27-26(16-20)28(23-10-6-4-7-11-23)29(24-12-8-5-9-13-24)33(27)19-25(34)18-32-22(3)17-21(2)31-30(32)35/h4-17,25,34H,18-19H2,1-3H3.
What are the key properties of 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one?
1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 463.58 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(5-methyl-2,3-diphenylindol-1-yl)propyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 4046155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).