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

C12H9Cl2FN2 — CID 63612311

IUPAC4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
SMILESCc1cc(-c2nc(Cl)c(C)c(Cl)n2)ccc1F
InChIInChI=1S/C12H9Cl2FN2/c1-6-5-8(3-4-9(6)15)12-16-10(13)7(2)11(14)17-12/h3-5H,1-2H3
InChIKeyKGWKENCHMHKEGF-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.21
Rot. Bonds1

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

4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine (PubChem CID 63612311) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
PubChem CID63612311
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
SMILESCc1cc(-c2nc(Cl)c(C)c(Cl)n2)ccc1F
InChIInChI=1S/C12H9Cl2FN2/c1-6-5-8(3-4-9(6)15)12-16-10(13)7(2)11(14)17-12/h3-5H,1-2H3
InChIKeyKGWKENCHMHKEGF-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine (CID 63612311) is 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine is Cc1cc(-c2nc(Cl)c(C)c(Cl)n2)ccc1F.
What is the InChIKey of 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine?
The InChIKey is KGWKENCHMHKEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c1-6-5-8(3-4-9(6)15)12-16-10(13)7(2)11(14)17-12/h3-5H,1-2H3.
What are the key properties of 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine?
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine has a molecular weight of 271.12 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine is sourced from PubChem (CID 63612311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).