2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C14H14F3N3S — CID 756561

IUPAC2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H14F3N3S/c15-14(16,17)12-9-10(11-5-4-8-21-11)18-13(19-12)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2
InChIKeyZDJFHTFLHOCADK-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.21
Rot. Bonds2

About 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 756561) has the molecular formula C14H14F3N3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID756561
Molecular FormulaC14H14F3N3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H14F3N3S/c15-14(16,17)12-9-10(11-5-4-8-21-11)18-13(19-12)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2
InChIKeyZDJFHTFLHOCADK-UHFFFAOYSA-N
XLogP4.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Thiophen-2-yl)pyrimidin-2-amine
CID 2764407
2-(1-Piperidinyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726260
Pyrimidine, 2-(ethylsulfonyl)-4-(2-thienyl)-6-(trifluoromethyl)-
CID 17024838
2-(4-Methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine
CID 10712354
2-(4-Methylpiperazin-1-yl)-4,6-dithiophen-2-ylpyrimidine
CID 452522
N-methyl-N-[4-(2-thienyl)-2-pyrimidinyl]cyanamide
CID 1478182
2-Methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 3245258
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
CID 9633938
2-Chloro-4-(thiophen-2-yl)pyrimidine
CID 14117941
4-[4-(2-Thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]morpholine
CID 756560
[6-(Difluoromethyl)-4-(4-methylphenyl)pyrimidin-2-yl](2-thienylmethyl)amine
CID 2986321
Ethyl 4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazinecarboxylate
CID 2990464

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 756561) is 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2cccs2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is ZDJFHTFLHOCADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3S/c15-14(16,17)12-9-10(11-5-4-8-21-11)18-13(19-12)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 313.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 756561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).