[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol

C11H15F3N4O2 — CID 106301120

IUPAC[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
SMILESNc1cc(NC2(CO)CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)9-16-7(15)5-8(17-9)18-10(6-19)1-3-20-4-2-10/h5,19H,1-4,6H2,(H3,15,16,17,18)
InChIKeyUTGKPHRECOGJRD-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.03
Rot. Bonds3

About [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol

[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol (PubChem CID 106301120) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
PubChem CID106301120
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
SMILESNc1cc(NC2(CO)CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)9-16-7(15)5-8(17-9)18-10(6-19)1-3-20-4-2-10/h5,19H,1-4,6H2,(H3,15,16,17,18)
InChIKeyUTGKPHRECOGJRD-UHFFFAOYSA-N
XLogP1.03
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol with MolForge

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Related Compounds

[4-[(6-amino-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301136
[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 80957689
[4-[(6-amino-4-nitro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106301141
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]oxan-4-yl]methanol
CID 106296884
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106296826
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
CID 106772304
1-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 106772295
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444

Frequently Asked Questions

What is the IUPAC name of [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol?
The IUPAC name of [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol (CID 106301120) is [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol is Nc1cc(NC2(CO)CCOCC2)nc(C(F)(F)F)n1.
What is the InChIKey of [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol?
The InChIKey is UTGKPHRECOGJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c12-11(13,14)9-16-7(15)5-8(17-9)18-10(6-19)1-3-20-4-2-10/h5,19H,1-4,6H2,(H3,15,16,17,18).
What are the key properties of [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol?
[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol has a molecular weight of 292.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol is sourced from PubChem (CID 106301120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).