methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate

C10H15N3O2 — CID 91202639

IUPACmethyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate
SMILESCOC(=O)CCNc1ncc(C)nc1C
InChIInChI=1S/C10H15N3O2/c1-7-6-12-10(8(2)13-7)11-5-4-9(14)15-3/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeySRQYUCLJPMWKMC-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.07
Rot. Bonds4

About methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate

methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate (PubChem CID 91202639) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate
PubChem CID91202639
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate
SMILESCOC(=O)CCNc1ncc(C)nc1C
InChIInChI=1S/C10H15N3O2/c1-7-6-12-10(8(2)13-7)11-5-4-9(14)15-3/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeySRQYUCLJPMWKMC-UHFFFAOYSA-N
XLogP1.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate (CID 91202639) is methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate is COC(=O)CCNc1ncc(C)nc1C.
What is the InChIKey of methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate?
The InChIKey is SRQYUCLJPMWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-6-12-10(8(2)13-7)11-5-4-9(14)15-3/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate?
methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate has a molecular weight of 209.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethylpyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 91202639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).