4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde

C12H10ClN3O — CID 80726421

IUPAC4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde
SMILESCc1ccc(-c2nc(C)nc(Cl)c2C=O)cn1
InChIInChI=1S/C12H10ClN3O/c1-7-3-4-9(5-14-7)11-10(6-17)12(13)16-8(2)15-11/h3-6H,1-2H3
InChIKeySQCVFEOIBBYBPN-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.62
Rot. Bonds2

About 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde

4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde (PubChem CID 80726421) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde
PubChem CID80726421
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde
SMILESCc1ccc(-c2nc(C)nc(Cl)c2C=O)cn1
InChIInChI=1S/C12H10ClN3O/c1-7-3-4-9(5-14-7)11-10(6-17)12(13)16-8(2)15-11/h3-6H,1-2H3
InChIKeySQCVFEOIBBYBPN-UHFFFAOYSA-N
XLogP2.62
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde (CID 80726421) is 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde is Cc1ccc(-c2nc(C)nc(Cl)c2C=O)cn1.
What is the InChIKey of 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde?
The InChIKey is SQCVFEOIBBYBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-7-3-4-9(5-14-7)11-10(6-17)12(13)16-8(2)15-11/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde has a molecular weight of 247.69 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(6-methyl-3-pyridinyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 80726421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).