9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one

C12H15N3O2 — CID 121384944

IUPAC9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCNCc1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C12H15N3O2/c1-2-5-13-8-9-7-11(17)15-6-3-4-10(16)12(15)14-9/h3-4,6-7,13,16H,2,5,8H2,1H3
InChIKeyRKPPMYZHYSXAOU-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.90
Rot. Bonds4

About 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384944) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID121384944
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCNCc1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C12H15N3O2/c1-2-5-13-8-9-7-11(17)15-6-3-4-10(16)12(15)14-9/h3-4,6-7,13,16H,2,5,8H2,1H3
InChIKeyRKPPMYZHYSXAOU-UHFFFAOYSA-N
XLogP0.90
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 121384944) is 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one is CCCNCc1cc(=O)n2cccc(O)c2n1.
What is the InChIKey of 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RKPPMYZHYSXAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-5-13-8-9-7-11(17)15-6-3-4-10(16)12(15)14-9/h3-4,6-7,13,16H,2,5,8H2,1H3.
What are the key properties of 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).