4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine

C9H10ClF3N2 — CID 61392924

IUPAC4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCCc1cc(Cl)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2/c1-2-3-6-4-7(10)15-8(14-6)5-9(11,12)13/h4H,2-3,5H2,1H3
InChIKeyPIXSOEYRIIFZHI-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.19
Rot. Bonds3

About 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine

4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 61392924) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID61392924
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCCc1cc(Cl)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2/c1-2-3-6-4-7(10)15-8(14-6)5-9(11,12)13/h4H,2-3,5H2,1H3
InChIKeyPIXSOEYRIIFZHI-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2,6-dimethylpyrimidine
CID 3154199
4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine
CID 3306907
2-Chloro-4-ethyl-6-methylpyrimidine
CID 593377
4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine
CID 19009749
4-Chloro-6-(1-methylethyl)-2-pyrimidinamine
CID 2773619
2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
2,4-Di-tert-butyl-6-chloropyrimidine
CID 11368138
2,4-Dichloro-6-ethylpyrimidine
CID 246010
4-Chloro-6-ethylpyrimidine
CID 11137271
4-Chloro-6-Ethyl-2-Methylpyrimidine
CID 13153403
4-Chloro-6-ethyl-2-(piperidin-1-yl)pyrimidine
CID 17750884
4-Chloro-6-(difluoromethyl)-2-methylpyrimidine
CID 17835510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine (CID 61392924) is 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine is CCCc1cc(Cl)nc(CC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is PIXSOEYRIIFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-2-3-6-4-7(10)15-8(14-6)5-9(11,12)13/h4H,2-3,5H2,1H3.
What are the key properties of 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 238.64 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 61392924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).