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

C18H21F3N6O2 — CID 168879410

IUPAC2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C(=O)NCC(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H21F3N6O2/c1-11-8-14(26-17(24-11)27-7-6-22-10-27)16(29)25-13-4-2-12(3-5-13)15(28)23-9-18(19,20)21/h6-8,10,12-13H,2-5,9H2,1H3,(H,23,28)(H,25,29)
InChIKeyQZODFXINJRMCRF-UHFFFAOYSA-N
MW410.40 g/mol
LogP1.94
Rot. Bonds5

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

2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide (PubChem CID 168879410) has the molecular formula C18H21F3N6O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide
PubChem CID168879410
Molecular FormulaC18H21F3N6O2
Molecular Weight410.40 g/mol
Exact Mass410.17
IUPAC Name2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C(=O)NCC(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H21F3N6O2/c1-11-8-14(26-17(24-11)27-7-6-22-10-27)16(29)25-13-4-2-12(3-5-13)15(28)23-9-18(19,20)21/h6-8,10,12-13H,2-5,9H2,1H3,(H,23,28)(H,25,29)
InChIKeyQZODFXINJRMCRF-UHFFFAOYSA-N
XLogP1.94
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide (CID 168879410) is 2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCC(C(=O)NCC(F)(F)F)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is QZODFXINJRMCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O2/c1-11-8-14(26-17(24-11)27-7-6-22-10-27)16(29)25-13-4-2-12(3-5-13)15(28)23-9-18(19,20)21/h6-8,10,12-13H,2-5,9H2,1H3,(H,23,28)(H,25,29).
What are the key properties of 2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide?
2-imidazol-1-yl-6-methyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 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-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 168879410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).