4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine

C11H7Cl2FN2 — CID 80550164

IUPAC4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1
InChIInChI=1S/C11H7Cl2FN2/c1-6-2-4-7(5-3-6)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3
InChIKeyPLUCIEJHBCBUKK-UHFFFAOYSA-N
MW257.10 g/mol
LogP3.90
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine

4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine (PubChem CID 80550164) has the molecular formula C11H7Cl2FN2 and a molecular weight of 257.10 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
PubChem CID80550164
Molecular FormulaC11H7Cl2FN2
Molecular Weight257.10 g/mol
Exact Mass256.00
IUPAC Name4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1
InChIInChI=1S/C11H7Cl2FN2/c1-6-2-4-7(5-3-6)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3
InChIKeyPLUCIEJHBCBUKK-UHFFFAOYSA-N
XLogP3.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine (CID 80550164) is 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine is Cc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine?
The InChIKey is PLUCIEJHBCBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2/c1-6-2-4-7(5-3-6)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine has a molecular weight of 257.10 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 80550164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).