4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one

C11H12N4O2 — CID 53257868

IUPAC4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCC2CC2)c2cccnc2n1O
InChIInChI=1S/C11H12N4O2/c16-11-14-9(13-6-7-3-4-7)8-2-1-5-12-10(8)15(11)17/h1-2,5,7,17H,3-4,6H2,(H,13,14,16)
InChIKeyPFHIEVVRQBULPV-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.85
Rot. Bonds3

About 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one

4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one (PubChem CID 53257868) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one
PubChem CID53257868
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCC2CC2)c2cccnc2n1O
InChIInChI=1S/C11H12N4O2/c16-11-14-9(13-6-7-3-4-7)8-2-1-5-12-10(8)15(11)17/h1-2,5,7,17H,3-4,6H2,(H,13,14,16)
InChIKeyPFHIEVVRQBULPV-UHFFFAOYSA-N
XLogP0.85
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-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-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one (CID 53257868) is 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one is O=c1nc(NCC2CC2)c2cccnc2n1O.
What is the InChIKey of 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The InChIKey is PFHIEVVRQBULPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11-14-9(13-6-7-3-4-7)8-2-1-5-12-10(8)15(11)17/h1-2,5,7,17H,3-4,6H2,(H,13,14,16).
What are the key properties of 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one has a molecular weight of 232.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-1-hydroxypyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 53257868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).