4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C10H15N3O — CID 83847337

IUPAC4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCC(C)c1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C10H15N3O/c1-6(2)9-7-3-4-11-5-8(7)12-10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyDJCGLFARCSOLOI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.54
Rot. Bonds1

About 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 83847337) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID83847337
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCC(C)c1nc(=O)[nH]c2c1CCNC2
InChIInChI=1S/C10H15N3O/c1-6(2)9-7-3-4-11-5-8(7)12-10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyDJCGLFARCSOLOI-UHFFFAOYSA-N
XLogP0.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-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 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 83847337) is 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is CC(C)c1nc(=O)[nH]c2c1CCNC2.
What is the InChIKey of 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is DJCGLFARCSOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6(2)9-7-3-4-11-5-8(7)12-10(14)13-9/h6,11H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83847337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).