4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide

C14H19F3N4O — CID 166264759

IUPAC4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N4O/c1-9-12(10(2)19-8-18-9)13(22)20-11-3-5-21(6-4-11)7-14(15,16)17/h8,11H,3-7H2,1-2H3,(H,20,22)
InChIKeyLNJXHMNERUZGGO-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.85
Rot. Bonds3

About 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide

4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 166264759) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID166264759
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N4O/c1-9-12(10(2)19-8-18-9)13(22)20-11-3-5-21(6-4-11)7-14(15,16)17/h8,11H,3-7H2,1-2H3,(H,20,22)
InChIKeyLNJXHMNERUZGGO-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 166264759) is 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide is Cc1ncnc(C)c1C(=O)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is LNJXHMNERUZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-9-12(10(2)19-8-18-9)13(22)20-11-3-5-21(6-4-11)7-14(15,16)17/h8,11H,3-7H2,1-2H3,(H,20,22).
What are the key properties of 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 166264759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).