1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol

C10H18N4O — CID 91651052

IUPAC1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nccnc1N(C)C
InChIInChI=1S/C10H18N4O/c1-8(15)7-14(4)10-9(13(2)3)11-5-6-12-10/h5-6,8,15H,7H2,1-4H3
InChIKeyYBLKUMAIRJRIKY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.36
Rot. Bonds4

About 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol

1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol (PubChem CID 91651052) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
PubChem CID91651052
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nccnc1N(C)C
InChIInChI=1S/C10H18N4O/c1-8(15)7-14(4)10-9(13(2)3)11-5-6-12-10/h5-6,8,15H,7H2,1-4H3
InChIKeyYBLKUMAIRJRIKY-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol (CID 91651052) is 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol is CC(O)CN(C)c1nccnc1N(C)C.
What is the InChIKey of 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol?
The InChIKey is YBLKUMAIRJRIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(15)7-14(4)10-9(13(2)3)11-5-6-12-10/h5-6,8,15H,7H2,1-4H3.
What are the key properties of 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol?
1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol is sourced from PubChem (CID 91651052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).