2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide

C18H23F3N6O — CID 168879415

IUPAC2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(N(C)CC(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H23F3N6O/c1-12-9-15(25-17(23-12)27-8-7-22-11-27)16(28)24-13-3-5-14(6-4-13)26(2)10-18(19,20)21/h7-9,11,13-14H,3-6,10H2,1-2H3,(H,24,28)
InChIKeyIZNKWLCFPGAWQK-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.51
Rot. Bonds5

About 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide

2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide (PubChem CID 168879415) has the molecular formula C18H23F3N6O and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide
PubChem CID168879415
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC Name2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(N(C)CC(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H23F3N6O/c1-12-9-15(25-17(23-12)27-8-7-22-11-27)16(28)24-13-3-5-14(6-4-13)26(2)10-18(19,20)21/h7-9,11,13-14H,3-6,10H2,1-2H3,(H,24,28)
InChIKeyIZNKWLCFPGAWQK-UHFFFAOYSA-N
XLogP2.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide (CID 168879415) is 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCC(N(C)CC(F)(F)F)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is IZNKWLCFPGAWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c1-12-9-15(25-17(23-12)27-8-7-22-11-27)16(28)24-13-3-5-14(6-4-13)26(2)10-18(19,20)21/h7-9,11,13-14H,3-6,10H2,1-2H3,(H,24,28).
What are the key properties of 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide?
2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-methyl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 168879415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).