4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine

C6H4ClF3N2 — CID 19009749

IUPAC4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2/c1-3-11-4(6(8,9)10)2-5(7)12-3/h2H,1H3
InChIKeyJYLBKMNTQSEPJM-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.46
Rot. Bonds

About 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine

4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 19009749) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID19009749
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2/c1-3-11-4(6(8,9)10)2-5(7)12-3/h2H,1H3
InChIKeyJYLBKMNTQSEPJM-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine (CID 19009749) is 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine is Cc1nc(Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is JYLBKMNTQSEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c1-3-11-4(6(8,9)10)2-5(7)12-3/h2H,1H3.
What are the key properties of 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine?
4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 196.56 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19009749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).