2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol

C13H23N3O — CID 71969457

IUPAC2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol
SMILESCc1cnc(CN(CC(C)(C)O)C(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-10(2)16(9-13(4,5)17)8-12-7-14-11(3)6-15-12/h6-7,10,17H,8-9H2,1-5H3
InChIKeyXYCAITZISLYWDR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.77
Rot. Bonds5

About 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol

2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol (PubChem CID 71969457) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol
PubChem CID71969457
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol
SMILESCc1cnc(CN(CC(C)(C)O)C(C)C)cn1
InChIInChI=1S/C13H23N3O/c1-10(2)16(9-13(4,5)17)8-12-7-14-11(3)6-15-12/h6-7,10,17H,8-9H2,1-5H3
InChIKeyXYCAITZISLYWDR-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol (CID 71969457) is 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol is Cc1cnc(CN(CC(C)(C)O)C(C)C)cn1.
What is the InChIKey of 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol?
The InChIKey is XYCAITZISLYWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16(9-13(4,5)17)8-12-7-14-11(3)6-15-12/h6-7,10,17H,8-9H2,1-5H3.
What are the key properties of 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol?
2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methylpyrazin-2-yl)methyl-propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 71969457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).