methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate

C7H9ClN4O2 — CID 139469901

IUPACmethyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate
SMILESCNc1nc(N)c(Cl)nc1C(=O)OC
InChIInChI=1S/C7H9ClN4O2/c1-10-6-3(7(13)14-2)11-4(8)5(9)12-6/h1-2H3,(H3,9,10,12)
InChIKeyHDCRLXJNCLQXGY-UHFFFAOYSA-N
MW216.63 g/mol
LogP0.54
Rot. Bonds2

About methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate

methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate (PubChem CID 139469901) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate
PubChem CID139469901
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Namemethyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate
SMILESCNc1nc(N)c(Cl)nc1C(=O)OC
InChIInChI=1S/C7H9ClN4O2/c1-10-6-3(7(13)14-2)11-4(8)5(9)12-6/h1-2H3,(H3,9,10,12)
InChIKeyHDCRLXJNCLQXGY-UHFFFAOYSA-N
XLogP0.54
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 50.54
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-chloro-3-(methylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate (CID 139469901) is methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate is CNc1nc(N)c(Cl)nc1C(=O)OC.
What is the InChIKey of methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate?
The InChIKey is HDCRLXJNCLQXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c1-10-6-3(7(13)14-2)11-4(8)5(9)12-6/h1-2H3,(H3,9,10,12).
What are the key properties of methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate?
methyl 5-amino-6-chloro-3-(methylamino)pyrazine-2-carboxylate has a molecular weight of 216.63 g/mol, XLogP of 0.54, 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-chloro-3-(methylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 139469901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).