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

C13H18F3N3O — CID 62301661

IUPAC3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-9-3-2-5-12(20,7-9)8-18-11-17-6-4-10(19-11)13(14,15)16/h4,6,9,20H,2-3,5,7-8H2,1H3,(H,17,18,19)
InChIKeyMFXMVRIVOWDTJX-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.85
Rot. Bonds3

About 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol

3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 62301661) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID62301661
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-9-3-2-5-12(20,7-9)8-18-11-17-6-4-10(19-11)13(14,15)16/h4,6,9,20H,2-3,5,7-8H2,1H3,(H,17,18,19)
InChIKeyMFXMVRIVOWDTJX-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

Analyze 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol (CID 62301661) is 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is CC1CCCC(O)(CNc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is MFXMVRIVOWDTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9-3-2-5-12(20,7-9)8-18-11-17-6-4-10(19-11)13(14,15)16/h4,6,9,20H,2-3,5,7-8H2,1H3,(H,17,18,19).
What are the key properties of 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol?
3-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 3-methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62301661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).