2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol

C11H19N3O — CID 114475973

IUPAC2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCc1ncc(NC(CO)C(C)C)nc1C
InChIInChI=1S/C11H19N3O/c1-7(2)10(6-15)14-11-5-12-8(3)9(4)13-11/h5,7,10,15H,6H2,1-4H3,(H,13,14)
InChIKeyCBVXIAWIIWZFQW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.52
Rot. Bonds4

About 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol

2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 114475973) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID114475973
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCc1ncc(NC(CO)C(C)C)nc1C
InChIInChI=1S/C11H19N3O/c1-7(2)10(6-15)14-11-5-12-8(3)9(4)13-11/h5,7,10,15H,6H2,1-4H3,(H,13,14)
InChIKeyCBVXIAWIIWZFQW-UHFFFAOYSA-N
XLogP1.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 114475547
2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol
CID 80653720
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
CID 106186351
2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine
CID 131025734
3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid
CID 114474267
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
CID 83063931
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
5,6-dimethyl-N-(6-methylheptan-2-yl)pyrazin-2-amine
CID 114475549
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol (CID 114475973) is 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol is Cc1ncc(NC(CO)C(C)C)nc1C.
What is the InChIKey of 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is CBVXIAWIIWZFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)10(6-15)14-11-5-12-8(3)9(4)13-11/h5,7,10,15H,6H2,1-4H3,(H,13,14).
What are the key properties of 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol?
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 114475973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).