6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde

C10H12N2O2 — CID 130025874

IUPAC6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde
SMILESCC1CCC(C=O)c2nccc(=O)n21
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(6-13)10-11-5-4-9(14)12(7)10/h4-8H,2-3H2,1H3
InChIKeyCTEKFEFUJWTPEF-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.88
Rot. Bonds1

About 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde

6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde (PubChem CID 130025874) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde
PubChem CID130025874
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde
SMILESCC1CCC(C=O)c2nccc(=O)n21
InChIInChI=1S/C10H12N2O2/c1-7-2-3-8(6-13)10-11-5-4-9(14)12(7)10/h4-8H,2-3H2,1H3
InChIKeyCTEKFEFUJWTPEF-UHFFFAOYSA-N
XLogP0.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 20548214
N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide;hydrochloride
CID 20548213
(6S,9R)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 23278754
(6S,9S)-N,N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 23278755

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde?
The IUPAC name of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde (CID 130025874) is 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde.
What is the SMILES notation for 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde?
The canonical SMILES for 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde is CC1CCC(C=O)c2nccc(=O)n21.
What is the InChIKey of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde?
The InChIKey is CTEKFEFUJWTPEF-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/h4-8H,2-3H2,1H3.
What are the key properties of 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde?
6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde has a molecular weight of 192.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carbaldehyde is sourced from PubChem (CID 130025874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).