6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide

C18H23F3N6O — CID 168879396

IUPAC6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
SMILESCCc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H23F3N6O/c1-2-12-9-15(26-17(25-12)27-8-7-22-11-27)16(28)24-14-5-3-13(4-6-14)23-10-18(19,20)21/h7-9,11,13-14,23H,2-6,10H2,1H3,(H,24,28)
InChIKeyNODMXBCOZDPHBY-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.42
Rot. Bonds6

About 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide

6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide (PubChem CID 168879396) has the molecular formula C18H23F3N6O and a molecular weight of 396.42 g/mol. Its IUPAC name is 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
PubChem CID168879396
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC Name6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
SMILESCCc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H23F3N6O/c1-2-12-9-15(26-17(25-12)27-8-7-22-11-27)16(28)24-14-5-3-13(4-6-14)23-10-18(19,20)21/h7-9,11,13-14,23H,2-6,10H2,1H3,(H,24,28)
InChIKeyNODMXBCOZDPHBY-UHFFFAOYSA-N
XLogP2.42
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide (CID 168879396) is 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide is CCc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is NODMXBCOZDPHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c1-2-12-9-15(26-17(25-12)27-8-7-22-11-27)16(28)24-14-5-3-13(4-6-14)23-10-18(19,20)21/h7-9,11,13-14,23H,2-6,10H2,1H3,(H,24,28).
What are the key properties of 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 168879396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).