6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol

C13H21F2N3O3 — CID 178008226

IUPAC6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol
SMILESCC(C)C(F)(F)c1cncc(N)n1.OC1CCOCC1O
InChIInChI=1S/C8H11F2N3.C5H10O3/c1-5(2)8(9,10)6-3-12-4-7(11)13-6;6-4-1-2-8-3-5(4)7/h3-5H,1-2H3,(H2,11,13);4-7H,1-3H2
InChIKeyCLDMYSXOUMBEEY-UHFFFAOYSA-N
MW305.32 g/mol
LogP0.94
Rot. Bonds2

About 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol

6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol (PubChem CID 178008226) has the molecular formula C13H21F2N3O3 and a molecular weight of 305.32 g/mol. Its IUPAC name is 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol.

Molecular Properties

Compound Name6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol
PubChem CID178008226
Molecular FormulaC13H21F2N3O3
Molecular Weight305.32 g/mol
Exact Mass305.16
IUPAC Name6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol
SMILESCC(C)C(F)(F)c1cncc(N)n1.OC1CCOCC1O
InChIInChI=1S/C8H11F2N3.C5H10O3/c1-5(2)8(9,10)6-3-12-4-7(11)13-6;6-4-1-2-8-3-5(4)7/h3-5H,1-2H3,(H2,11,13);4-7H,1-3H2
InChIKeyCLDMYSXOUMBEEY-UHFFFAOYSA-N
XLogP0.94
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222175
(2R,3R,4R)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222182
(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167448159
(2R,3R,4R)-2-[(propan-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 169581991
2-Methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171558763
Ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 176953564
2-Methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 177015482
2-(3-Methylbut-1-ynyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 178007578
2-(1,1-Difluoro-2-methylpropyl)-6-methylpyrazine;oxane-3,4-diol
CID 178008050
2-(Hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine
CID 178103683

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol?
The IUPAC name of 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol (CID 178008226) is 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol.
What is the SMILES notation for 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol?
The canonical SMILES for 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol is CC(C)C(F)(F)c1cncc(N)n1.OC1CCOCC1O.
What is the InChIKey of 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol?
The InChIKey is CLDMYSXOUMBEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3.C5H10O3/c1-5(2)8(9,10)6-3-12-4-7(11)13-6;6-4-1-2-8-3-5(4)7/h3-5H,1-2H3,(H2,11,13);4-7H,1-3H2.
What are the key properties of 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol?
6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol has a molecular weight of 305.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol is sourced from PubChem (CID 178008226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).