4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one

C15H16N2O — CID 135975393

IUPAC4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)cc(-c2nc(C3CC3)cc(=O)[nH]2)c1
InChIInChI=1S/C15H16N2O/c1-9-5-10(2)7-12(6-9)15-16-13(11-3-4-11)8-14(18)17-15/h5-8,11H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyMBTMCEKEAHDRRH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.93
Rot. Bonds2

About 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one (PubChem CID 135975393) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
PubChem CID135975393
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)cc(-c2nc(C3CC3)cc(=O)[nH]2)c1
InChIInChI=1S/C15H16N2O/c1-9-5-10(2)7-12(6-9)15-16-13(11-3-4-11)8-14(18)17-15/h5-8,11H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyMBTMCEKEAHDRRH-UHFFFAOYSA-N
XLogP2.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-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 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one (CID 135975393) is 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one is Cc1cc(C)cc(-c2nc(C3CC3)cc(=O)[nH]2)c1.
What is the InChIKey of 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one?
The InChIKey is MBTMCEKEAHDRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-5-10(2)7-12(6-9)15-16-13(11-3-4-11)8-14(18)17-15/h5-8,11H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135975393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).