4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one

C11H13N3O2 — CID 162540281

IUPAC4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one
SMILESCCCCOc1ncnc2c1C(=O)CC=N2
InChIInChI=1S/C11H13N3O2/c1-2-3-6-16-11-9-8(15)4-5-12-10(9)13-7-14-11/h5,7H,2-4,6H2,1H3
InChIKeyFPXYDSXMROHIML-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.94
Rot. Bonds4

About 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one

4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 162540281) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID162540281
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one
SMILESCCCCOc1ncnc2c1C(=O)CC=N2
InChIInChI=1S/C11H13N3O2/c1-2-3-6-16-11-9-8(15)4-5-12-10(9)13-7-14-11/h5,7H,2-4,6H2,1H3
InChIKeyFPXYDSXMROHIML-UHFFFAOYSA-N
XLogP1.94
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-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-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one (CID 162540281) is 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one is CCCCOc1ncnc2c1C(=O)CC=N2.
What is the InChIKey of 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is FPXYDSXMROHIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-6-16-11-9-8(15)4-5-12-10(9)13-7-14-11/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one?
4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 219.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-6H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 162540281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).