4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine

C14H19ClF3N3 — CID 114562532

IUPAC4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)C1CCN(c2cc(C(F)(F)F)nc(Cl)n2)CC1
InChIInChI=1S/C14H19ClF3N3/c1-13(2,3)9-4-6-21(7-5-9)11-8-10(14(16,17)18)19-12(15)20-11/h8-9H,4-7H2,1-3H3
InChIKeyORAZATKDCLVSHQ-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.41
Rot. Bonds1

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

4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine (PubChem CID 114562532) has the molecular formula C14H19ClF3N3 and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
PubChem CID114562532
Molecular FormulaC14H19ClF3N3
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)C1CCN(c2cc(C(F)(F)F)nc(Cl)n2)CC1
InChIInChI=1S/C14H19ClF3N3/c1-13(2,3)9-4-6-21(7-5-9)11-8-10(14(16,17)18)19-12(15)20-11/h8-9H,4-7H2,1-3H3
InChIKeyORAZATKDCLVSHQ-UHFFFAOYSA-N
XLogP4.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 114562711
3-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 114562738
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562342
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 114562722
1-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 114562180
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 114562594
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562432
6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine
CID 166713019
2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol
CID 87522921
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114562285
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564188
2-chloro-4-(2-propylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562832

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine (CID 114562532) is 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine is CC(C)(C)C1CCN(c2cc(C(F)(F)F)nc(Cl)n2)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is ORAZATKDCLVSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3/c1-13(2,3)9-4-6-21(7-5-9)11-8-10(14(16,17)18)19-12(15)20-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine?
4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 321.77 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).