N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol

C15H20F3N5O2 — CID 166480997

IUPACN-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
SMILESO=C(NC1CCCCC1)c1nccc(-n2ccnc2)n1.OC(F)(F)F.[H][H]
InChIInChI=1S/C14H17N5O.CHF3O.H2/c20-14(17-11-4-2-1-3-5-11)13-16-7-6-12(18-13)19-9-8-15-10-19;2-1(3,4)5;/h6-11H,1-5H2,(H,17,20);5H;1H
InChIKeyXFEXJYNYBZJNPH-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.47
Rot. Bonds3

About N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol

N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol (PubChem CID 166480997) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol.

Molecular Properties

Compound NameN-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
PubChem CID166480997
Molecular FormulaC15H20F3N5O2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC NameN-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
SMILESO=C(NC1CCCCC1)c1nccc(-n2ccnc2)n1.OC(F)(F)F.[H][H]
InChIInChI=1S/C14H17N5O.CHF3O.H2/c20-14(17-11-4-2-1-3-5-11)13-16-7-6-12(18-13)19-9-8-15-10-19;2-1(3,4)5;/h6-11H,1-5H2,(H,17,20);5H;1H
InChIKeyXFEXJYNYBZJNPH-UHFFFAOYSA-N
XLogP2.47
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481322
N-[(1S,3S)-3-hydroxycyclopentyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481422
N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
CID 166480957
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
N-cyclohexyl-6-imidazol-1-ylpyridine-2-carboxamide;2-methoxyethanol;molecular hydrogen
CID 156885840
1-cyclohexyl-3-[2-(6-imidazol-1-yl-2-pyridinyl)ethyl]urea
CID 70887053
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18150434
N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen
CID 166480910
N-[6-(difluoromethoxy)-3-pyridinyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481282
6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 170610880
N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481590

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol?
The IUPAC name of N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol (CID 166480997) is N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol.
What is the SMILES notation for N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol?
The canonical SMILES for N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol is O=C(NC1CCCCC1)c1nccc(-n2ccnc2)n1.OC(F)(F)F.[H][H].
What is the InChIKey of N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol?
The InChIKey is XFEXJYNYBZJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O.CHF3O.H2/c20-14(17-11-4-2-1-3-5-11)13-16-7-6-12(18-13)19-9-8-15-10-19;2-1(3,4)5;/h6-11H,1-5H2,(H,17,20);5H;1H.
What are the key properties of N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol?
N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol has a molecular weight of 359.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol is sourced from PubChem (CID 166480997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).