4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol

C11H19N3O — CID 104695546

IUPAC4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol
SMILESCc1cnc(C)c(N(C)CCC(C)O)n1
InChIInChI=1S/C11H19N3O/c1-8-7-12-10(3)11(13-8)14(4)6-5-9(2)15/h7,9,15H,5-6H2,1-4H3
InChIKeyYAIYQGLEBZRMNQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds4

About 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol

4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol (PubChem CID 104695546) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol
PubChem CID104695546
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol
SMILESCc1cnc(C)c(N(C)CCC(C)O)n1
InChIInChI=1S/C11H19N3O/c1-8-7-12-10(3)11(13-8)14(4)6-5-9(2)15/h7,9,15H,5-6H2,1-4H3
InChIKeyYAIYQGLEBZRMNQ-UHFFFAOYSA-N
XLogP1.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol
CID 107203507
N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591431
N,3,6-trimethyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133468986
methyl 4-[3-hydroxybutyl(methyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214651
1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761007
N-[[4-(aminomethyl)phenyl]methyl]-N,3,6-trimethylpyrazin-2-amine
CID 54939164
4-[methyl-(3-propan-2-yloxypyrazin-2-yl)amino]butan-2-ol
CID 133455026
2-[(3,6-dimethylpyrazin-2-yl)-propan-2-ylamino]acetic acid
CID 65416877
4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol
CID 103915166
4-[(3-chloro-2-pyridinyl)-methylamino]butan-2-ol
CID 115689322
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 115691904
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180

Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol (CID 104695546) is 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol is Cc1cnc(C)c(N(C)CCC(C)O)n1.
What is the InChIKey of 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol?
The InChIKey is YAIYQGLEBZRMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-7-12-10(3)11(13-8)14(4)6-5-9(2)15/h7,9,15H,5-6H2,1-4H3.
What are the key properties of 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol?
4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 104695546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).