4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine

C8H8ClF3N2 — CID 75132226

IUPAC4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C8H8ClF3N2/c1-4(2)7-13-3-5(6(9)14-7)8(10,11)12/h3-4H,1-2H3
InChIKeyJPKNBJWTEKWFMY-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.27
Rot. Bonds1

About 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine

4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 75132226) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine
PubChem CID75132226
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C8H8ClF3N2/c1-4(2)7-13-3-5(6(9)14-7)8(10,11)12/h3-4H,1-2H3
InChIKeyJPKNBJWTEKWFMY-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine (CID 75132226) is 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine is CC(C)c1ncc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is JPKNBJWTEKWFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-4(2)7-13-3-5(6(9)14-7)8(10,11)12/h3-4H,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine?
4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 224.61 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 75132226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).