6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide

C18H23F3N6O — CID 168879425

IUPAC6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-n2cncc2C)n1
InChIInChI=1S/C18H23F3N6O/c1-11-7-15(26-17(24-11)27-10-22-8-12(27)2)16(28)25-14-5-3-13(4-6-14)23-9-18(19,20)21/h7-8,10,13-14,23H,3-6,9H2,1-2H3,(H,25,28)
InChIKeyJBUUJZYLESWCBC-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.47
Rot. Bonds5

About 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide

6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide (PubChem CID 168879425) has the molecular formula C18H23F3N6O and a molecular weight of 396.42 g/mol. Its IUPAC name is 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
PubChem CID168879425
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC Name6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-n2cncc2C)n1
InChIInChI=1S/C18H23F3N6O/c1-11-7-15(26-17(24-11)27-10-22-8-12(27)2)16(28)25-14-5-3-13(4-6-14)23-9-18(19,20)21/h7-8,10,13-14,23H,3-6,9H2,1-2H3,(H,25,28)
InChIKeyJBUUJZYLESWCBC-UHFFFAOYSA-N
XLogP2.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide (CID 168879425) is 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCC(NCC(F)(F)F)CC2)nc(-n2cncc2C)n1.
What is the InChIKey of 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is JBUUJZYLESWCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c1-11-7-15(26-17(24-11)27-10-22-8-12(27)2)16(28)25-14-5-3-13(4-6-14)23-9-18(19,20)21/h7-8,10,13-14,23H,3-6,9H2,1-2H3,(H,25,28).
What are the key properties of 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide?
6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methylimidazol-1-yl)-N-[4-(2,2,2-trifluoroethylamino)cyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 168879425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).