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

C9H13N2O2+ — CID 15759282

IUPAC2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
SMILESC[n+]1c(O)cc(=O)n2c1CCCC2
InChIInChI=1S/C9H12N2O2/c1-10-7-4-2-3-5-11(7)9(13)6-8(10)12/h6H,2-5H2,1H3/p+1
InChIKeyWHMXGABQKFXEQL-UHFFFAOYSA-O
MW181.21 g/mol
LogP-0.29
Rot. Bonds

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

2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one (PubChem CID 15759282) has the molecular formula C9H13N2O2+ and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one.

Molecular Properties

Compound Name2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
PubChem CID15759282
Molecular FormulaC9H13N2O2+
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
SMILESC[n+]1c(O)cc(=O)n2c1CCCC2
InChIInChI=1S/C9H12N2O2/c1-10-7-4-2-3-5-11(7)9(13)6-8(10)12/h6H,2-5H2,1H3/p+1
InChIKeyWHMXGABQKFXEQL-UHFFFAOYSA-O
XLogP-0.29
TPSA46.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
6,7,8,9-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 526446
4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 22618178
2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
2-Amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83873338
2-Hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 135456620
2,3-Diethyl-6-hydroxypyrimidin-4-one
CID 135617178
3-Cyclohexyl-6-hydroxy-2-methyl-4(3h)-pyrimidinone
CID 136343049
6-Hydroxy-2,3-bis(3-methylbutyl)pyrimidin-4-one
CID 136364329
3-Cyclohexyl-2-ethyl-6-hydroxypyrimidin-4-one
CID 136364378
2-Hydroxy-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 139427511

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one?
The IUPAC name of 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one (CID 15759282) is 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one.
What is the SMILES notation for 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one?
The canonical SMILES for 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one is C[n+]1c(O)cc(=O)n2c1CCCC2.
What is the InChIKey of 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one?
The InChIKey is WHMXGABQKFXEQL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2O2/c1-10-7-4-2-3-5-11(7)9(13)6-8(10)12/h6H,2-5H2,1H3/p+1.
What are the key properties of 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one?
2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one has a molecular weight of 181.21 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one is sourced from PubChem (CID 15759282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).