3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one

C14H22N2O2 — CID 68995428

IUPAC3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one
SMILESCCCc1ncc(CC2CCCCO2)c(=O)n1C
InChIInChI=1S/C14H22N2O2/c1-3-6-13-15-10-11(14(17)16(13)2)9-12-7-4-5-8-18-12/h10,12H,3-9H2,1-2H3
InChIKeyRZMJLJCBVNWZMH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.84
Rot. Bonds4

About 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one

3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one (PubChem CID 68995428) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one
PubChem CID68995428
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one
SMILESCCCc1ncc(CC2CCCCO2)c(=O)n1C
InChIInChI=1S/C14H22N2O2/c1-3-6-13-15-10-11(14(17)16(13)2)9-12-7-4-5-8-18-12/h10,12H,3-9H2,1-2H3
InChIKeyRZMJLJCBVNWZMH-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-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 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one?
The IUPAC name of 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one (CID 68995428) is 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one is CCCc1ncc(CC2CCCCO2)c(=O)n1C.
What is the InChIKey of 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one?
The InChIKey is RZMJLJCBVNWZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-6-13-15-10-11(14(17)16(13)2)9-12-7-4-5-8-18-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one?
3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one has a molecular weight of 250.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxan-2-ylmethyl)-2-propylpyrimidin-4-one is sourced from PubChem (CID 68995428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).