methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate

C9H14N4O2 — CID 129415851

IUPACmethyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(N(C)C)nc1N
InChIInChI=1S/C9H14N4O2/c1-5-8(13(2)3)12-7(10)6(11-5)9(14)15-4/h1-4H3,(H2,10,12)
InChIKeyDWPLSCHZQAFQBP-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.22
Rot. Bonds2

About methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate

methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate (PubChem CID 129415851) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
PubChem CID129415851
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(N(C)C)nc1N
InChIInChI=1S/C9H14N4O2/c1-5-8(13(2)3)12-7(10)6(11-5)9(14)15-4/h1-4H3,(H2,10,12)
InChIKeyDWPLSCHZQAFQBP-UHFFFAOYSA-N
XLogP0.22
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate (CID 129415851) is methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate is COC(=O)c1nc(C)c(N(C)C)nc1N.
What is the InChIKey of methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate?
The InChIKey is DWPLSCHZQAFQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5-8(13(2)3)12-7(10)6(11-5)9(14)15-4/h1-4H3,(H2,10,12).
What are the key properties of methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate?
methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate has a molecular weight of 210.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate is sourced from PubChem (CID 129415851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).