2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C13H19N3O2 — CID 102549248

IUPAC2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CC1CCCO1)CNCC2
InChIInChI=1S/C13H19N3O2/c1-9-15-12-4-5-14-7-11(12)13(17)16(9)8-10-3-2-6-18-10/h10,14H,2-8H2,1H3
InChIKeyUBWCTFONKIQWEZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.38
Rot. Bonds2

About 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 102549248) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID102549248
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CC1CCCO1)CNCC2
InChIInChI=1S/C13H19N3O2/c1-9-15-12-4-5-14-7-11(12)13(17)16(9)8-10-3-2-6-18-10/h10,14H,2-8H2,1H3
InChIKeyUBWCTFONKIQWEZ-UHFFFAOYSA-N
XLogP0.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-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 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 102549248) is 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1CC1CCCO1)CNCC2.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UBWCTFONKIQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-15-12-4-5-14-7-11(12)13(17)16(9)8-10-3-2-6-18-10/h10,14H,2-8H2,1H3.
What are the key properties of 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 249.31 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 102549248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).