2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol

C9H15N3O — CID 83063307

IUPAC2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol
SMILESCc1nccnc1NCC(C)(C)O
InChIInChI=1S/C9H15N3O/c1-7-8(11-5-4-10-7)12-6-9(2,3)13/h4-5,13H,6H2,1-3H3,(H,11,12)
InChIKeyWGIUWHWNCCUCFW-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.97
Rot. Bonds3

About 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol

2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol (PubChem CID 83063307) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol
PubChem CID83063307
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol
SMILESCc1nccnc1NCC(C)(C)O
InChIInChI=1S/C9H15N3O/c1-7-8(11-5-4-10-7)12-6-9(2,3)13/h4-5,13H,6H2,1-3H3,(H,11,12)
InChIKeyWGIUWHWNCCUCFW-UHFFFAOYSA-N
XLogP0.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol (CID 83063307) is 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol is Cc1nccnc1NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol?
The InChIKey is WGIUWHWNCCUCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-8(11-5-4-10-7)12-6-9(2,3)13/h4-5,13H,6H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol?
2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 83063307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).