2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C12H13N3O2 — CID 1083210

IUPAC2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N(C)C)nc12
InChIInChI=1S/C12H13N3O2/c1-8-5-4-6-15-10(8)13-11(14(2)3)9(7-16)12(15)17/h4-7H,1-3H3
InChIKeyNPXFILYIEWTDDC-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.88
Rot. Bonds2

About 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 1083210) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID1083210
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N(C)C)nc12
InChIInChI=1S/C12H13N3O2/c1-8-5-4-6-15-10(8)13-11(14(2)3)9(7-16)12(15)17/h4-7H,1-3H3
InChIKeyNPXFILYIEWTDDC-UHFFFAOYSA-N
XLogP0.88
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 1083210) is 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(N(C)C)nc12.
What is the InChIKey of 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is NPXFILYIEWTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-5-4-6-15-10(8)13-11(14(2)3)9(7-16)12(15)17/h4-7H,1-3H3.
What are the key properties of 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 231.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 1083210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).