6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C12H15F3N4O — CID 91628643

IUPAC6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)7-16-11(20)9-6-10(18-8-17-9)19-4-2-1-3-5-19/h6,8H,1-5,7H2,(H,16,20)
InChIKeyGLJOLGIQUFWPGM-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.76
Rot. Bonds3

About 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 91628643) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID91628643
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)7-16-11(20)9-6-10(18-8-17-9)19-4-2-1-3-5-19/h6,8H,1-5,7H2,(H,16,20)
InChIKeyGLJOLGIQUFWPGM-UHFFFAOYSA-N
XLogP1.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 91628643) is 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is O=C(NCC(F)(F)F)c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is GLJOLGIQUFWPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)7-16-11(20)9-6-10(18-8-17-9)19-4-2-1-3-5-19/h6,8H,1-5,7H2,(H,16,20).
What are the key properties of 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91628643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).