4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde

C13H11ClN2O3 — CID 116811180

IUPAC4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde
SMILESCOc1cccc(OC)c1-c1ncnc(Cl)c1C=O
InChIInChI=1S/C13H11ClN2O3/c1-18-9-4-3-5-10(19-2)11(9)12-8(6-17)13(14)16-7-15-12/h3-7H,1-2H3
InChIKeyQKAQMUYAQYBUAH-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.63
Rot. Bonds4

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

4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde (PubChem CID 116811180) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde
PubChem CID116811180
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde
SMILESCOc1cccc(OC)c1-c1ncnc(Cl)c1C=O
InChIInChI=1S/C13H11ClN2O3/c1-18-9-4-3-5-10(19-2)11(9)12-8(6-17)13(14)16-7-15-12/h3-7H,1-2H3
InChIKeyQKAQMUYAQYBUAH-UHFFFAOYSA-N
XLogP2.63
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde
CID 106681400
3-chloro-8-methoxyisoquinoline-4-carbaldehyde
CID 131699932
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloropyrimidine-5-carbaldehyde
CID 103523979
4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
CID 79078535
4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
CID 79072758
4-chloro-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carbaldehyde
CID 79079025
4-chloro-6-(2-methoxy-5-methylanilino)pyrimidine-5-carbaldehyde
CID 66366723
4-chloro-6-pyrimidin-5-ylpyrimidine-5-carbaldehyde
CID 79072664
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine
CID 82810915
2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
CID 135029975
3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
CID 135012085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde (CID 116811180) is 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde is COc1cccc(OC)c1-c1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde?
The InChIKey is QKAQMUYAQYBUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-18-9-4-3-5-10(19-2)11(9)12-8(6-17)13(14)16-7-15-12/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde?
4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde has a molecular weight of 278.70 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 116811180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).