9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C10H12N2O2 — CID 137232310

IUPAC9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(=CO)c2nccc(=O)n21
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(6-13)10-11-5-4-9(14)12(7)10/h4-7,13H,2-3H2,1H3
InChIKeyURZHTRZHMHNTBT-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.50
Rot. Bonds

About 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 137232310) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID137232310
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(=CO)c2nccc(=O)n21
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(6-13)10-11-5-4-9(14)12(7)10/h4-7,13H,2-3H2,1H3
InChIKeyURZHTRZHMHNTBT-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(9E)-9-[chloro(dimethylamino)methylidene]-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 134875572
9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 54446952
(9E)-9-(dimethylaminomethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 88749458
(9E)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 135818324
(9Z)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 136302250
(9Z)-9-(hydroxymethylidene)-3,6-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 136302348
(9Z)-9-(hydroxymethylidene)-N,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136315020
(9E)-9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 136316883
(9E)-9-(hydroxymethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 136316916
(9E)-9-(hydroxymethylidene)-6,8-dimethyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carbonitrile
CID 136317034
(9E)-9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 137258822

Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 137232310) is 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is CC1CCC(=CO)c2nccc(=O)n21.
What is the InChIKey of 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is URZHTRZHMHNTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-8(6-13)10-11-5-4-9(14)12(7)10/h4-7,13H,2-3H2,1H3.
What are the key properties of 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 192.22 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethylidene)-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137232310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).