4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde

C14H13ClN2O2 — CID 106681400

IUPAC4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde
SMILESCOc1cc(C)cc(C)c1-c1ncnc(Cl)c1C=O
InChIInChI=1S/C14H13ClN2O2/c1-8-4-9(2)12(11(5-8)19-3)13-10(6-18)14(15)17-7-16-13/h4-7H,1-3H3
InChIKeyQTNKGWJLSDGPKJ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.23
Rot. Bonds3

About 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde

4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde (PubChem CID 106681400) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde
PubChem CID106681400
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde
SMILESCOc1cc(C)cc(C)c1-c1ncnc(Cl)c1C=O
InChIInChI=1S/C14H13ClN2O2/c1-8-4-9(2)12(11(5-8)19-3)13-10(6-18)14(15)17-7-16-13/h4-7H,1-3H3
InChIKeyQTNKGWJLSDGPKJ-UHFFFAOYSA-N
XLogP3.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.23
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

4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde
CID 116811180
5-methoxy-6-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-amine
CID 106681516
4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867294
4-chloro-6-(2-methoxy-5-methylanilino)pyrimidine-5-carbaldehyde
CID 66366723
6-(2-methoxy-4,6-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 106681492
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloropyrimidine-5-carbaldehyde
CID 103523979
5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 106681496
4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
CID 116900259
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 82478111
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
4-chloro-6-pyrimidin-5-ylpyrimidine-5-carbaldehyde
CID 79072664

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde (CID 106681400) is 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde is COc1cc(C)cc(C)c1-c1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde?
The InChIKey is QTNKGWJLSDGPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-4-9(2)12(11(5-8)19-3)13-10(6-18)14(15)17-7-16-13/h4-7H,1-3H3.
What are the key properties of 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde?
4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde has a molecular weight of 276.72 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 106681400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).