4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine

C11H6Cl2F2N2 — CID 80550185

IUPAC4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
SMILESCc1cc(-c2nc(Cl)c(F)c(Cl)n2)ccc1F
InChIInChI=1S/C11H6Cl2F2N2/c1-5-4-6(2-3-7(5)14)11-16-9(12)8(15)10(13)17-11/h2-4H,1H3
InChIKeyBYOWXMDXRFUMTM-UHFFFAOYSA-N
MW275.09 g/mol
LogP4.04
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine

4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine (PubChem CID 80550185) has the molecular formula C11H6Cl2F2N2 and a molecular weight of 275.09 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
PubChem CID80550185
Molecular FormulaC11H6Cl2F2N2
Molecular Weight275.09 g/mol
Exact Mass273.99
IUPAC Name4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
SMILESCc1cc(-c2nc(Cl)c(F)c(Cl)n2)ccc1F
InChIInChI=1S/C11H6Cl2F2N2/c1-5-4-6(2-3-7(5)14)11-16-9(12)8(15)10(13)17-11/h2-4H,1H3
InChIKeyBYOWXMDXRFUMTM-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 54.04
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-fluoro-3-methylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine (CID 80550185) is 4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine is Cc1cc(-c2nc(Cl)c(F)c(Cl)n2)ccc1F.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine?
The InChIKey is BYOWXMDXRFUMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F2N2/c1-5-4-6(2-3-7(5)14)11-16-9(12)8(15)10(13)17-11/h2-4H,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine has a molecular weight of 275.09 g/mol, XLogP of 4.04, 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-fluoro-3-methylphenyl)pyrimidine is sourced from PubChem (CID 80550185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).