6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde

C16H13N3O — CID 114755476

IUPAC6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C16H13N3O/c1-10-7-15(19-14-6-4-3-5-13(10)14)16-17-11(2)8-12(9-20)18-16/h3-9H,1-2H3
InChIKeyGAZBUBGAYLWCLQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.12
Rot. Bonds2

About 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde

6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde (PubChem CID 114755476) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
PubChem CID114755476
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C16H13N3O/c1-10-7-15(19-14-6-4-3-5-13(10)14)16-17-11(2)8-12(9-20)18-16/h3-9H,1-2H3
InChIKeyGAZBUBGAYLWCLQ-UHFFFAOYSA-N
XLogP3.12
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.12
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 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde (CID 114755476) is 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(-c2cc(C)c3ccccc3n2)n1.
What is the InChIKey of 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde?
The InChIKey is GAZBUBGAYLWCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-10-7-15(19-14-6-4-3-5-13(10)14)16-17-11(2)8-12(9-20)18-16/h3-9H,1-2H3.
What are the key properties of 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde?
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 114755476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).