2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

C13H17ClF3N3 — CID 114562832

IUPAC2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCCCC1CCCCN1c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C13H17ClF3N3/c1-2-5-9-6-3-4-7-20(9)11-8-10(13(15,16)17)18-12(14)19-11/h8-9H,2-7H2,1H3
InChIKeyYTEIJIIZTPELTF-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.31
Rot. Bonds3

About 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 114562832) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID114562832
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCCCC1CCCCN1c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C13H17ClF3N3/c1-2-5-9-6-3-4-7-20(9)11-8-10(13(15,16)17)18-12(14)19-11/h8-9H,2-7H2,1H3
InChIKeyYTEIJIIZTPELTF-UHFFFAOYSA-N
XLogP4.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114562285
[6-(2-propylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721064
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562532
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734
4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83057547
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562432
2-bromo-6-(2-propylpiperidin-1-yl)pyridine
CID 83056141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 114562832) is 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is CCCC1CCCCN1c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is YTEIJIIZTPELTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-2-5-9-6-3-4-7-20(9)11-8-10(13(15,16)17)18-12(14)19-11/h8-9H,2-7H2,1H3.
What are the key properties of 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 307.75 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).