3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid

C10H15N3O2 — CID 114474267

IUPAC3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid
SMILESCc1ncc(NC(C)CC(=O)O)nc1C
InChIInChI=1S/C10H15N3O2/c1-6(4-10(14)15)12-9-5-11-7(2)8(3)13-9/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVMNDYEZDKUBFCY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.37
Rot. Bonds4

About 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid

3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid (PubChem CID 114474267) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid
PubChem CID114474267
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid
SMILESCc1ncc(NC(C)CC(=O)O)nc1C
InChIInChI=1S/C10H15N3O2/c1-6(4-10(14)15)12-9-5-11-7(2)8(3)13-9/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVMNDYEZDKUBFCY-UHFFFAOYSA-N
XLogP1.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-N-(6-methylheptan-2-yl)pyrazin-2-amine
CID 114475549
N-heptan-2-yl-5,6-dimethylpyrazin-2-amine
CID 114475537
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol
CID 114475973
3-[(6-methyl-3-pyridinyl)amino]butanoic acid
CID 170628757
2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 114474497
5,6-dimethyl-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 114475547
3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid
CID 115266549
2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114474543
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
CID 114765268
2-[(5,6-dimethylpyrazin-2-yl)amino]-N-ethylacetamide
CID 114475330
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methoxypropan-1-ol
CID 106186351
3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 114474409

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid (CID 114474267) is 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid is Cc1ncc(NC(C)CC(=O)O)nc1C.
What is the InChIKey of 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid?
The InChIKey is VMNDYEZDKUBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(4-10(14)15)12-9-5-11-7(2)8(3)13-9/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid?
3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 114474267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).