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

C10H12ClF3N2 — CID 15232881

IUPAC5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine
SMILESCCCCc1c(C)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H12ClF3N2/c1-3-4-5-7-6(2)15-9(10(12,13)14)16-8(7)11/h3-5H2,1-2H3
InChIKeyNHJDBNOEZGGKHM-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.80
Rot. Bonds3

About 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine

5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine (PubChem CID 15232881) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine
PubChem CID15232881
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine
SMILESCCCCc1c(C)nc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H12ClF3N2/c1-3-4-5-7-6(2)15-9(10(12,13)14)16-8(7)11/h3-5H2,1-2H3
InChIKeyNHJDBNOEZGGKHM-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine (CID 15232881) is 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine is CCCCc1c(C)nc(C(F)(F)F)nc1Cl.
What is the InChIKey of 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is NHJDBNOEZGGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c1-3-4-5-7-6(2)15-9(10(12,13)14)16-8(7)11/h3-5H2,1-2H3.
What are the key properties of 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine?
5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 252.67 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15232881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).