5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol

C12H21N3O4 — CID 103391276

IUPAC5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol
SMILESCOCC(O)(CCCN)c1ncc(OC)nc1OC
InChIInChI=1S/C12H21N3O4/c1-17-8-12(16,5-4-6-13)10-11(19-3)15-9(18-2)7-14-10/h7,16H,4-6,8,13H2,1-3H3
InChIKeyYMPUFYBOIZQMIL-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.07
Rot. Bonds8

About 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol

5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol (PubChem CID 103391276) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol.

Molecular Properties

Compound Name5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol
PubChem CID103391276
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol
SMILESCOCC(O)(CCCN)c1ncc(OC)nc1OC
InChIInChI=1S/C12H21N3O4/c1-17-8-12(16,5-4-6-13)10-11(19-3)15-9(18-2)7-14-10/h7,16H,4-6,8,13H2,1-3H3
InChIKeyYMPUFYBOIZQMIL-UHFFFAOYSA-N
XLogP0.07
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Hydroxy-1-methylpropyl)-3-methoxypyrazine
CID 101731875
4-Fluoro-5-methoxy-4-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 103392369
3-Amino-1,1,1-trifluoro-2-(3-methoxypyrazin-2-yl)pentan-2-ol
CID 104516351
2-(3,5-Dimethoxypyrazin-2-yl)-6,6,6-trifluorohexan-2-ol
CID 116535906
2-(3-Methoxypyrazin-2-yl)butan-2-ol
CID 169491574
3-Methoxy-1-(3-methoxypyrazin-2-yl)-3-methylbutan-1-ol
CID 103027678
5-Amino-1-methoxy-2-(3-methoxypyrazin-2-yl)pentan-2-ol
CID 103391301
5-Amino-1-methoxy-2-pyrazin-2-ylpentan-2-ol
CID 103391582
1-[Hydroxy-(3-methoxypyrazin-2-yl)methyl]cyclopentan-1-ol
CID 103448205
1-[(3,5-Dimethoxypyrazin-2-yl)-hydroxymethyl]cyclopentan-1-ol
CID 103448510
1-(3-Methoxypyrazin-2-yl)-2-methylbutane-1,2-diol
CID 103448529
1-(3-Methoxypyrazin-2-yl)-2-methylpropane-1,2-diol
CID 103448870

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol?
The IUPAC name of 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol (CID 103391276) is 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol.
What is the SMILES notation for 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol?
The canonical SMILES for 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol is COCC(O)(CCCN)c1ncc(OC)nc1OC.
What is the InChIKey of 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol?
The InChIKey is YMPUFYBOIZQMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-17-8-12(16,5-4-6-13)10-11(19-3)15-9(18-2)7-14-10/h7,16H,4-6,8,13H2,1-3H3.
What are the key properties of 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol?
5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol has a molecular weight of 271.32 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dimethoxypyrazin-2-yl)-1-methoxypentan-2-ol is sourced from PubChem (CID 103391276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).