methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate

C12H19N3O2 — CID 62006219

IUPACmethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1nc(C)cnc1C)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10(12(16)17-5)15-11-9(4)13-6-8(3)14-11/h6-7,10H,1-5H3,(H,14,15)
InChIKeyHJJZSIWRCARUTN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.70
Rot. Bonds4

About methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate

methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate (PubChem CID 62006219) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate
PubChem CID62006219
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1nc(C)cnc1C)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10(12(16)17-5)15-11-9(4)13-6-8(3)14-11/h6-7,10H,1-5H3,(H,14,15)
InChIKeyHJJZSIWRCARUTN-UHFFFAOYSA-N
XLogP1.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate (CID 62006219) is methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate is COC(=O)C(Nc1nc(C)cnc1C)C(C)C.
What is the InChIKey of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate?
The InChIKey is HJJZSIWRCARUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)10(12(16)17-5)15-11-9(4)13-6-8(3)14-11/h6-7,10H,1-5H3,(H,14,15).
What are the key properties of methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate?
methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate has a molecular weight of 237.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,6-dimethylpyrazin-2-yl)amino]-3-methylbutanoate is sourced from PubChem (CID 62006219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).