2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde

C10H12N2O2 — CID 142685427

IUPAC2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1nc2n(c(=O)c1C=O)CCCC2
InChIInChI=1S/C10H12N2O2/c1-7-8(6-13)10(14)12-5-3-2-4-9(12)11-7/h6H,2-5H2,1H3
InChIKeyLPXYBXQRCYDAQT-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.70
Rot. Bonds1

About 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde

2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 142685427) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID142685427
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1nc2n(c(=O)c1C=O)CCCC2
InChIInChI=1S/C10H12N2O2/c1-7-8(6-13)10(14)12-5-3-2-4-9(12)11-7/h6H,2-5H2,1H3
InChIKeyLPXYBXQRCYDAQT-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 142685427) is 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1nc2n(c(=O)c1C=O)CCCC2.
What is the InChIKey of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is LPXYBXQRCYDAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-8(6-13)10(14)12-5-3-2-4-9(12)11-7/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 192.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 142685427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).