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

C14H20F3N3O — CID 65118275

IUPAC4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H20F3N3O/c1-12(2)4-6-13(21,7-5-12)9-19-11-18-8-3-10(20-11)14(15,16)17/h3,8,21H,4-7,9H2,1-2H3,(H,18,19,20)
InChIKeyNJKPIIVDYAZJKM-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.24
Rot. Bonds3

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

4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 65118275) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID65118275
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H20F3N3O/c1-12(2)4-6-13(21,7-5-12)9-19-11-18-8-3-10(20-11)14(15,16)17/h3,8,21H,4-7,9H2,1-2H3,(H,18,19,20)
InChIKeyNJKPIIVDYAZJKM-UHFFFAOYSA-N
XLogP3.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (CID 65118275) is 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is NJKPIIVDYAZJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-12(2)4-6-13(21,7-5-12)9-19-11-18-8-3-10(20-11)14(15,16)17/h3,8,21H,4-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 303.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).