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

C18H23F3N6O — CID 168879390

IUPAC2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(N[C@H](C)C(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H23F3N6O/c1-11-9-15(26-17(23-11)27-8-7-22-10-27)16(28)25-14-5-3-13(4-6-14)24-12(2)18(19,20)21/h7-10,12-14,24H,3-6H2,1-2H3,(H,25,28)/t12-,13?,14?/m1/s1
InChIKeyPSRJALVYXFXBAA-IYXRBSQSSA-N
MW396.42 g/mol
LogP2.55
Rot. Bonds5

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

2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide (PubChem CID 168879390) 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-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide
PubChem CID168879390
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC Name2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(N[C@H](C)C(F)(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H23F3N6O/c1-11-9-15(26-17(23-11)27-8-7-22-10-27)16(28)25-14-5-3-13(4-6-14)24-12(2)18(19,20)21/h7-10,12-14,24H,3-6H2,1-2H3,(H,25,28)/t12-,13?,14?/m1/s1
InChIKeyPSRJALVYXFXBAA-IYXRBSQSSA-N
XLogP2.55
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 ≤ 52.55
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-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide (CID 168879390) is 2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCC(N[C@H](C)C(F)(F)F)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide?
The InChIKey is PSRJALVYXFXBAA-IYXRBSQSSA-N. The full InChI is InChI=1S/C18H23F3N6O/c1-11-9-15(26-17(23-11)27-8-7-22-10-27)16(28)25-14-5-3-13(4-6-14)24-12(2)18(19,20)21/h7-10,12-14,24H,3-6H2,1-2H3,(H,25,28)/t12-,13?,14?/m1/s1.
What are the key properties of 2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide?
2-imidazol-1-yl-6-methyl-N-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.55, 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-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]cyclohexyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 168879390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).