[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol

C13H18F3N3O2 — CID 106748127

IUPAC[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2cc(C(F)(F)F)ncc2N)CC(CO)O1
InChIInChI=1S/C13H18F3N3O2/c1-12(2)7-19(5-8(6-20)21-12)10-3-11(13(14,15)16)18-4-9(10)17/h3-4,8,20H,5-7,17H2,1-2H3
InChIKeyMHKWKIAAXKYURP-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.66
Rot. Bonds2

About [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 106748127) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID106748127
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2cc(C(F)(F)F)ncc2N)CC(CO)O1
InChIInChI=1S/C13H18F3N3O2/c1-12(2)7-19(5-8(6-20)21-12)10-3-11(13(14,15)16)18-4-9(10)17/h3-4,8,20H,5-7,17H2,1-2H3
InChIKeyMHKWKIAAXKYURP-UHFFFAOYSA-N
XLogP1.66
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 157039322
CID 157039322
CID 166834218
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CID 69043881
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CID 118064177
CID 118064177
CID 134543277
CID 134543277
CID 145197588
CID 145197588
CID 146199232
CID 146199232
CID 157038892
CID 157038892
CID 157038959
CID 157038959
CID 157039041
CID 157039041
CID 157039204
CID 157039204

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 106748127) is [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2cc(C(F)(F)F)ncc2N)CC(CO)O1.
What is the InChIKey of [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is MHKWKIAAXKYURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-12(2)7-19(5-8(6-20)21-12)10-3-11(13(14,15)16)18-4-9(10)17/h3-4,8,20H,5-7,17H2,1-2H3.
What are the key properties of [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 305.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 106748127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).