2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol

C12H22N4O — CID 103055873

IUPAC2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1cnc(NC)cn1
InChIInChI=1S/C12H22N4O/c1-3-4-5-16(6-7-17)10-11-8-15-12(13-2)9-14-11/h8-9,17H,3-7,10H2,1-2H3,(H,13,15)
InChIKeyKLPNKHJWUWCREC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.11
Rot. Bonds8

About 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol

2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol (PubChem CID 103055873) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol
PubChem CID103055873
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1cnc(NC)cn1
InChIInChI=1S/C12H22N4O/c1-3-4-5-16(6-7-17)10-11-8-15-12(13-2)9-14-11/h8-9,17H,3-7,10H2,1-2H3,(H,13,15)
InChIKeyKLPNKHJWUWCREC-UHFFFAOYSA-N
XLogP1.11
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(dibutylamino)methyl]-N-methylpyrazin-2-amine
CID 103055563
2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62184221
3-[ethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]propan-1-ol
CID 103061212
2-[butyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]acetamide
CID 103060559
6-[(dibutylamino)methyl]-N-methylpyridin-2-amine
CID 79243168
2-[2-hydroxyethyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79243182
2-[[5-(ethylamino)pyrazin-2-yl]methyl-methylamino]ethanol
CID 103055749
2-[(5-chloropyrazin-2-yl)methyl-ethylamino]ethanol
CID 103054105
2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol
CID 107486351
2-methyl-1-[methyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056634
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
CID 62015413

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol (CID 103055873) is 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol is CCCCN(CCO)Cc1cnc(NC)cn1.
What is the InChIKey of 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol?
The InChIKey is KLPNKHJWUWCREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-16(6-7-17)10-11-8-15-12(13-2)9-14-11/h8-9,17H,3-7,10H2,1-2H3,(H,13,15).
What are the key properties of 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol?
2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 103055873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).