2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine

C12H21N3O4 — CID 178103683

IUPAC2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine
SMILESCC1COC(CO)C(O)C1O.Cc1cncc(N)n1
InChIInChI=1S/C7H14O4.C5H7N3/c1-4-3-11-5(2-8)7(10)6(4)9;1-4-2-7-3-5(6)8-4/h4-10H,2-3H2,1H3;2-3H,1H3,(H2,6,8)
InChIKeyXHCDXPCGKPXCHX-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.90
Rot. Bonds1

About 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine

2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine (PubChem CID 178103683) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine
PubChem CID178103683
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine
SMILESCC1COC(CO)C(O)C1O.Cc1cncc(N)n1
InChIInChI=1S/C7H14O4.C5H7N3/c1-4-3-11-5(2-8)7(10)6(4)9;1-4-2-7-3-5(6)8-4/h4-10H,2-3H2,1H3;2-3H,1H3,(H2,6,8)
InChIKeyXHCDXPCGKPXCHX-UHFFFAOYSA-N
XLogP-0.90
TPSA121.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-N-[6-(trifluoromethyl)pyrazin-2-yl]oxane-3-carbonitrilium
CID 167448132
(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
(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methanol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557365
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
6-(1,1-Difluoro-2-methylpropyl)pyrazin-2-amine;oxane-3,4-diol
CID 178008226
2-(Hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
CID 171558060

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine?
The IUPAC name of 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine (CID 178103683) is 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine.
What is the SMILES notation for 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine?
The canonical SMILES for 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine is CC1COC(CO)C(O)C1O.Cc1cncc(N)n1.
What is the InChIKey of 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine?
The InChIKey is XHCDXPCGKPXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4.C5H7N3/c1-4-3-11-5(2-8)7(10)6(4)9;1-4-2-7-3-5(6)8-4/h4-10H,2-3H2,1H3;2-3H,1H3,(H2,6,8).
What are the key properties of 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine?
2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine has a molecular weight of 271.32 g/mol, XLogP of -0.90, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methyloxane-3,4-diol;6-methylpyrazin-2-amine is sourced from PubChem (CID 178103683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).