2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol

C12H17F3N4O — CID 102640209

IUPAC2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCN(c1cc(C(F)(F)F)nc(N)n1)C1CCCCC1O
InChIInChI=1S/C12H17F3N4O/c1-19(7-4-2-3-5-8(7)20)10-6-9(12(13,14)15)17-11(16)18-10/h6-8,20H,2-5H2,1H3,(H2,16,17,18)
InChIKeyKSULFBIDWQHSEY-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.82
Rot. Bonds2

About 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol

2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102640209) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
PubChem CID102640209
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCN(c1cc(C(F)(F)F)nc(N)n1)C1CCCCC1O
InChIInChI=1S/C12H17F3N4O/c1-19(7-4-2-3-5-8(7)20)10-6-9(12(13,14)15)17-11(16)18-10/h6-8,20H,2-5H2,1H3,(H2,16,17,18)
InChIKeyKSULFBIDWQHSEY-UHFFFAOYSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]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 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (CID 102640209) is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is CN(c1cc(C(F)(F)F)nc(N)n1)C1CCCCC1O.
What is the InChIKey of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is KSULFBIDWQHSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-19(7-4-2-3-5-8(7)20)10-6-9(12(13,14)15)17-11(16)18-10/h6-8,20H,2-5H2,1H3,(H2,16,17,18).
What are the key properties of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 290.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).