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

C11H19N3O4 — CID 171558060

IUPAC2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
SMILESCc1cncc(N)n1.OCC1OCCC(O)C1O
InChIInChI=1S/C6H12O4.C5H7N3/c7-3-5-6(9)4(8)1-2-10-5;1-4-2-7-3-5(6)8-4/h4-9H,1-3H2;2-3H,1H3,(H2,6,8)
InChIKeyPNLCDTCRBRSNKL-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.14
Rot. Bonds1

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

2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine (PubChem CID 171558060) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine.

Molecular Properties

Compound Name2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
PubChem CID171558060
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
SMILESCc1cncc(N)n1.OCC1OCCC(O)C1O
InChIInChI=1S/C6H12O4.C5H7N3/c7-3-5-6(9)4(8)1-2-10-5;1-4-2-7-3-5(6)8-4/h4-9H,1-3H2;2-3H,1H3,(H2,6,8)
InChIKeyPNLCDTCRBRSNKL-UHFFFAOYSA-N
XLogP-1.14
TPSA121.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 176704923
(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
CID 166480153
2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine
CID 171556862
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 177228869
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 153374722
(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792
4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoylamino]benzoic acid;6-(trifluoromethyl)pyrazin-2-amine
CID 171557366
(3S)-2-[(2-hydroxyethylamino)methyl]oxane-3,4-diol
CID 126606523
3-cyano-N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-pyrazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556881

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine?
The IUPAC name of 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine (CID 171558060) is 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine.
What is the SMILES notation for 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine?
The canonical SMILES for 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine is Cc1cncc(N)n1.OCC1OCCC(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine?
The InChIKey is PNLCDTCRBRSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.C5H7N3/c7-3-5-6(9)4(8)1-2-10-5;1-4-2-7-3-5(6)8-4/h4-9H,1-3H2;2-3H,1H3,(H2,6,8).
What are the key properties of 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine?
2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine has a molecular weight of 257.29 g/mol, XLogP of -1.14, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine is sourced from PubChem (CID 171558060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).