4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine

C14H15ClN2O2 — CID 103434429

IUPAC4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine
SMILESCOc1c(Cl)ncnc1-c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H15ClN2O2/c1-8-5-6-10(12(18-3)9(8)2)11-13(19-4)14(15)17-7-16-11/h5-7H,1-4H3
InChIKeyHESXZPJLDVHJGZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine

4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine (PubChem CID 103434429) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine
PubChem CID103434429
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine
SMILESCOc1c(Cl)ncnc1-c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H15ClN2O2/c1-8-5-6-10(12(18-3)9(8)2)11-13(19-4)14(15)17-7-16-11/h5-7H,1-4H3
InChIKeyHESXZPJLDVHJGZ-UHFFFAOYSA-N
XLogP3.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine?
The IUPAC name of 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine (CID 103434429) is 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine is COc1c(Cl)ncnc1-c1ccc(C)c(C)c1OC.
What is the InChIKey of 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine?
The InChIKey is HESXZPJLDVHJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8-5-6-10(12(18-3)9(8)2)11-13(19-4)14(15)17-7-16-11/h5-7H,1-4H3.
What are the key properties of 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine?
4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine has a molecular weight of 278.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-6-(2-methoxy-3,4-dimethylphenyl)pyrimidine is sourced from PubChem (CID 103434429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).