4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine

C13H17ClF3N3 — CID 106768458

IUPAC4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
SMILESCC1CC(C)C(C)N(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H17ClF3N3/c1-7-4-8(2)9(3)20(6-7)11-5-10(14)18-12(19-11)13(15,16)17/h5,7-9H,4,6H2,1-3H3
InChIKeyFNXCJLWYFWYHEK-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.02
Rot. Bonds1

About 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine

4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine (PubChem CID 106768458) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
PubChem CID106768458
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine
SMILESCC1CC(C)C(C)N(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H17ClF3N3/c1-7-4-8(2)9(3)20(6-7)11-5-10(14)18-12(19-11)13(15,16)17/h5,7-9H,4,6H2,1-3H3
InChIKeyFNXCJLWYFWYHEK-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
[4-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 102721159
6-(2,4-dimethylpyrrolidin-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773251
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 106768014
2-tert-butyl-4-chloro-6-(2,3-dimethylpiperidin-1-yl)pyrimidine
CID 80951560
2-(chloromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
CID 114594776
3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 114593616
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-2,3,5-trimethylpiperidine
CID 114594078
(2S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 145433357
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
2-bromo-6-(2,3,5-trimethylpiperidin-1-yl)pyridine
CID 114594537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine (CID 106768458) is 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine is CC1CC(C)C(C)N(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine?
The InChIKey is FNXCJLWYFWYHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-7-4-8(2)9(3)20(6-7)11-5-10(14)18-12(19-11)13(15,16)17/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine?
4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine has a molecular weight of 307.75 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 106768458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).