4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol

C13H18F3N3O — CID 65118311

IUPAC4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N3O/c1-9-2-5-12(20,6-3-9)8-18-11-17-7-4-10(19-11)13(14,15)16/h4,7,9,20H,2-3,5-6,8H2,1H3,(H,17,18,19)
InChIKeyCUNPAXYTFGUVHZ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.85
Rot. Bonds3

About 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol

4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 65118311) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID65118311
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N3O/c1-9-2-5-12(20,6-3-9)8-18-11-17-7-4-10(19-11)13(14,15)16/h4,7,9,20H,2-3,5-6,8H2,1H3,(H,17,18,19)
InChIKeyCUNPAXYTFGUVHZ-UHFFFAOYSA-N
XLogP2.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (CID 65118311) is 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is CUNPAXYTFGUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9-2-5-12(20,6-3-9)8-18-11-17-7-4-10(19-11)13(14,15)16/h4,7,9,20H,2-3,5-6,8H2,1H3,(H,17,18,19).
What are the key properties of 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).