methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate

C14H13N5O2 — CID 54596567

IUPACmethyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1
InChIInChI=1S/C14H13N5O2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2/h3-6H,1-2H3,(H2,15,16)(H,18,19)
InChIKeyMPMGUQLEKIMHCL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.70
Rot. Bonds2

About methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate

methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate (PubChem CID 54596567) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate
PubChem CID54596567
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Namemethyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1
InChIInChI=1S/C14H13N5O2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2/h3-6H,1-2H3,(H2,15,16)(H,18,19)
InChIKeyMPMGUQLEKIMHCL-UHFFFAOYSA-N
XLogP1.70
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate (CID 54596567) is methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(N)c(-c2nc3ccc(C)cc3[nH]2)n1.
What is the InChIKey of methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate?
The InChIKey is MPMGUQLEKIMHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-7-3-4-8-9(5-7)19-13(18-8)11-12(15)16-6-10(17-11)14(20)21-2/h3-6H,1-2H3,(H2,15,16)(H,18,19).
What are the key properties of methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate?
methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 54596567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).