4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine

C12H10ClFN2 — CID 62387743

IUPAC4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C12H10ClFN2/c1-7-3-4-9(14)6-10(7)12-15-8(2)5-11(13)16-12/h3-6H,1-2H3
InChIKeyOFTVPFMCHUZKLB-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.55
Rot. Bonds1

About 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine

4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine (PubChem CID 62387743) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine
PubChem CID62387743
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C12H10ClFN2/c1-7-3-4-9(14)6-10(7)12-15-8(2)5-11(13)16-12/h3-6H,1-2H3
InChIKeyOFTVPFMCHUZKLB-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine (CID 62387743) is 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine is Cc1cc(Cl)nc(-c2cc(F)ccc2C)n1.
What is the InChIKey of 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine?
The InChIKey is OFTVPFMCHUZKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-7-3-4-9(14)6-10(7)12-15-8(2)5-11(13)16-12/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine?
4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine has a molecular weight of 236.68 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine is sourced from PubChem (CID 62387743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).