2,4-dichloro-5-(4-methoxyphenyl)pyrimidine

C11H8Cl2N2O — CID 19735441

IUPAC2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cnc(Cl)nc2Cl)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-14-11(13)15-10(9)12/h2-6H,1H3
InChIKeyHIFPSJNJLGNUIS-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds2

About 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine

2,4-dichloro-5-(4-methoxyphenyl)pyrimidine (PubChem CID 19735441) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
PubChem CID19735441
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cnc(Cl)nc2Cl)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-14-11(13)15-10(9)12/h2-6H,1H3
InChIKeyHIFPSJNJLGNUIS-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 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine (CID 19735441) is 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cnc(Cl)nc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine?
The InChIKey is HIFPSJNJLGNUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-14-11(13)15-10(9)12/h2-6H,1H3.
What are the key properties of 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine?
2,4-dichloro-5-(4-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 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 19735441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).