4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide

C12H15F3N4O — CID 63928120

IUPAC4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)9-5-6-17-11(19-9)18-8-3-1-7(2-4-8)10(16)20/h5-8H,1-4H2,(H2,16,20)(H,17,18,19)
InChIKeyQDQHAXGTWORGEZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.95
Rot. Bonds3

About 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide

4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 63928120) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID63928120
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)9-5-6-17-11(19-9)18-8-3-1-7(2-4-8)10(16)20/h5-8H,1-4H2,(H2,16,20)(H,17,18,19)
InChIKeyQDQHAXGTWORGEZ-UHFFFAOYSA-N
XLogP1.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide (CID 63928120) is 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(Nc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is QDQHAXGTWORGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)9-5-6-17-11(19-9)18-8-3-1-7(2-4-8)10(16)20/h5-8H,1-4H2,(H2,16,20)(H,17,18,19).
What are the key properties of 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide?
4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 63928120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).