9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one

C9H9N3O2 — CID 89063245

IUPAC9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H9N3O2/c1-10-6-5-11-8-7(13)3-2-4-12(8)9(6)14/h2-5,10,13H,1H3
InChIKeyQCBBWJBEDVLVNE-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.44
Rot. Bonds1

About 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 89063245) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID89063245
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H9N3O2/c1-10-6-5-11-8-7(13)3-2-4-12(8)9(6)14/h2-5,10,13H,1H3
InChIKeyQCBBWJBEDVLVNE-UHFFFAOYSA-N
XLogP0.44
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one (CID 89063245) is 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one is CNc1cnc2c(O)cccn2c1=O.
What is the InChIKey of 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QCBBWJBEDVLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-10-6-5-11-8-7(13)3-2-4-12(8)9(6)14/h2-5,10,13H,1H3.
What are the key properties of 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 191.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-(methylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 89063245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).