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

C12H19N3O3 — CID 81078172

IUPAC2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(Nc1nc(C)cnc1C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-7-13-9(2)11(14-8)15-10(12(16)17)5-4-6-18-3/h7,10H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQCMFOXFDJKUGOP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.39
Rot. Bonds7

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

2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid (PubChem CID 81078172) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
PubChem CID81078172
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(Nc1nc(C)cnc1C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-7-13-9(2)11(14-8)15-10(12(16)17)5-4-6-18-3/h7,10H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQCMFOXFDJKUGOP-UHFFFAOYSA-N
XLogP1.39
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid
CID 83063532
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
CID 81077805
2-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 114765528
5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973199
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-5-methoxypentanoic acid
CID 136959366
2-[(6-carbamoyl-2-pyridinyl)amino]-5-methoxypentanoic acid
CID 81077809
5-methoxy-2-(thieno[3,2-d]pyrimidin-4-ylamino)pentanoic acid
CID 81078600
2-(1,3-benzothiazol-2-ylamino)-5-methoxypentanoic acid
CID 81078689
5-methoxy-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 81078957
5-methoxy-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentanoic acid
CID 81084007
5-methoxy-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentanoic acid
CID 81078165

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid (CID 81078172) is 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid is COCCCC(Nc1nc(C)cnc1C)C(=O)O.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid?
The InChIKey is QCMFOXFDJKUGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-7-13-9(2)11(14-8)15-10(12(16)17)5-4-6-18-3/h7,10H,4-6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid?
2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81078172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).