4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one

C15H18N2O2 — CID 135449245

IUPAC4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Cc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2/c1-10(2)19-13-6-4-12(5-7-13)9-14-16-11(3)8-15(18)17-14/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyDMVZBKQWGSZBHN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds4

About 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one

4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135449245) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135449245
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Cc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2/c1-10(2)19-13-6-4-12(5-7-13)9-14-16-11(3)8-15(18)17-14/h4-8,10H,9H2,1-3H3,(H,16,17,18)
InChIKeyDMVZBKQWGSZBHN-UHFFFAOYSA-N
XLogP2.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-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-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one (CID 135449245) is 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Cc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is DMVZBKQWGSZBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)19-13-6-4-12(5-7-13)9-14-16-11(3)8-15(18)17-14/h4-8,10H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one?
4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135449245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).