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

C18H23F3N6O — CID 168879408

IUPAC2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(CNCC(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H23F3N6O/c1-12-8-15(26-17(24-12)27-7-6-22-11-27)16(28)25-14-4-2-13(3-5-14)9-23-10-18(19,20)21/h6-8,11,13-14,23H,2-5,9-10H2,1H3,(H,25,28)
InChIKeyIXCDQFAFKXNQIX-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.41
Rot. Bonds6

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

2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide (PubChem CID 168879408) 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-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide
PubChem CID168879408
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC Name2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(CNCC(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H23F3N6O/c1-12-8-15(26-17(24-12)27-7-6-22-11-27)16(28)25-14-4-2-13(3-5-14)9-23-10-18(19,20)21/h6-8,11,13-14,23H,2-5,9-10H2,1H3,(H,25,28)
InChIKeyIXCDQFAFKXNQIX-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide (CID 168879408) is 2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCC(CNCC(F)(F)F)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is IXCDQFAFKXNQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c1-12-8-15(26-17(24-12)27-7-6-22-11-27)16(28)25-14-4-2-13(3-5-14)9-23-10-18(19,20)21/h6-8,11,13-14,23H,2-5,9-10H2,1H3,(H,25,28).
What are the key properties of 2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide?
2-imidazol-1-yl-6-methyl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.41, 6 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-trifluoroethylamino)methyl]cyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 168879408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).