N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine

C18H25F3N6O — CID 168879395

IUPACN-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine
SMILESCc1cc(C(=O)NC2CCCCC2)nc(-c2cncn2C)n1.NCC(F)(F)F
InChIInChI=1S/C16H21N5O.C2H4F3N/c1-11-8-13(16(22)19-12-6-4-3-5-7-12)20-15(18-11)14-9-17-10-21(14)2;3-2(4,5)1-6/h8-10,12H,3-7H2,1-2H3,(H,19,22);1,6H2
InChIKeyGPRWBMCHNYTQDG-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.76
Rot. Bonds3

About N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine

N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine (PubChem CID 168879395) has the molecular formula C18H25F3N6O and a molecular weight of 398.43 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine
PubChem CID168879395
Molecular FormulaC18H25F3N6O
Molecular Weight398.43 g/mol
Exact Mass398.20
IUPAC NameN-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine
SMILESCc1cc(C(=O)NC2CCCCC2)nc(-c2cncn2C)n1.NCC(F)(F)F
InChIInChI=1S/C16H21N5O.C2H4F3N/c1-11-8-13(16(22)19-12-6-4-3-5-7-12)20-15(18-11)14-9-17-10-21(14)2;3-2(4,5)1-6/h8-10,12H,3-7H2,1-2H3,(H,19,22);1,6H2
InChIKeyGPRWBMCHNYTQDG-UHFFFAOYSA-N
XLogP2.76
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine?
The IUPAC name of N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine (CID 168879395) is N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine.
What is the SMILES notation for N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine?
The canonical SMILES for N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine is Cc1cc(C(=O)NC2CCCCC2)nc(-c2cncn2C)n1.NCC(F)(F)F.
What is the InChIKey of N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine?
The InChIKey is GPRWBMCHNYTQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.C2H4F3N/c1-11-8-13(16(22)19-12-6-4-3-5-7-12)20-15(18-11)14-9-17-10-21(14)2;3-2(4,5)1-6/h8-10,12H,3-7H2,1-2H3,(H,19,22);1,6H2.
What are the key properties of N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine?
N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine has a molecular weight of 398.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-2-(3-methylimidazol-4-yl)pyrimidine-4-carboxamide;2,2,2-trifluoroethanamine is sourced from PubChem (CID 168879395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).