4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine

C12H10ClFN2 — CID 115502906

IUPAC4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
SMILESCc1c(F)cccc1-c1ncnc(Cl)c1C
InChIInChI=1S/C12H10ClFN2/c1-7-9(4-3-5-10(7)14)11-8(2)12(13)16-6-15-11/h3-6H,1-2H3
InChIKeyMFUZJJJJHALSQT-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.55
Rot. Bonds1

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

4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine (PubChem CID 115502906) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
PubChem CID115502906
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
SMILESCc1c(F)cccc1-c1ncnc(Cl)c1C
InChIInChI=1S/C12H10ClFN2/c1-7-9(4-3-5-10(7)14)11-8(2)12(13)16-6-15-11/h3-6H,1-2H3
InChIKeyMFUZJJJJHALSQT-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-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine (CID 115502906) is 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine is Cc1c(F)cccc1-c1ncnc(Cl)c1C.
What is the InChIKey of 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine?
The InChIKey is MFUZJJJJHALSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-7-9(4-3-5-10(7)14)11-8(2)12(13)16-6-15-11/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine?
4-chloro-6-(3-fluoro-2-methylphenyl)-5-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-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine is sourced from PubChem (CID 115502906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).