5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine

C8H8ClF3N2 — CID 22008863

IUPAC5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine
SMILESCCCc1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2/c1-2-3-6-13-4-5(9)7(14-6)8(10,11)12/h4H,2-3H2,1H3
InChIKeyATIVOQQVNZXIPM-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.10
Rot. Bonds2

About 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine

5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine (PubChem CID 22008863) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine
PubChem CID22008863
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine
SMILESCCCc1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2/c1-2-3-6-13-4-5(9)7(14-6)8(10,11)12/h4H,2-3H2,1H3
InChIKeyATIVOQQVNZXIPM-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine (CID 22008863) is 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine is CCCc1ncc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is ATIVOQQVNZXIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-2-3-6-13-4-5(9)7(14-6)8(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine?
5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 224.61 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 22008863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).