4,6-dichloro-2-(2-methoxyphenyl)pyrimidine

C11H8Cl2N2O — CID 53440048

IUPAC4,6-dichloro-2-(2-methoxyphenyl)pyrimidine
SMILESCOc1ccccc1-c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C11H8Cl2N2O/c1-16-8-5-3-2-4-7(8)11-14-9(12)6-10(13)15-11/h2-6H,1H3
InChIKeyAZBDVWYFUCOXOH-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds2

About 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine

4,6-dichloro-2-(2-methoxyphenyl)pyrimidine (PubChem CID 53440048) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-methoxyphenyl)pyrimidine
PubChem CID53440048
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name4,6-dichloro-2-(2-methoxyphenyl)pyrimidine
SMILESCOc1ccccc1-c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C11H8Cl2N2O/c1-16-8-5-3-2-4-7(8)11-14-9(12)6-10(13)15-11/h2-6H,1H3
InChIKeyAZBDVWYFUCOXOH-UHFFFAOYSA-N
XLogP3.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine (CID 53440048) is 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine is COc1ccccc1-c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine?
The InChIKey is AZBDVWYFUCOXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-16-8-5-3-2-4-7(8)11-14-9(12)6-10(13)15-11/h2-6H,1H3.
What are the key properties of 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine?
4,6-dichloro-2-(2-methoxyphenyl)pyrimidine has a molecular weight of 255.10 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-methoxyphenyl)pyrimidine is sourced from PubChem (CID 53440048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).