2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C9H12N2O2 — CID 139427511

IUPAC2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(O)nc2n(c1=O)CCCC2
InChIInChI=1S/C9H12N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h12H,2-5H2,1H3
InChIKeyDEHBOJCGXFJWJP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.59
Rot. Bonds

About 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 139427511) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID139427511
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(O)nc2n(c1=O)CCCC2
InChIInChI=1S/C9H12N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h12H,2-5H2,1H3
InChIKeyDEHBOJCGXFJWJP-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 139427511) is 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1c(O)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DEHBOJCGXFJWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h12H,2-5H2,1H3.
What are the key properties of 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 139427511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).