methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate

C10H13ClN4O3 — CID 2797296

IUPACmethyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(N2CCOCC2)nc1N
InChIInChI=1S/C10H13ClN4O3/c1-17-10(16)6-8(12)14-9(7(11)13-6)15-2-4-18-5-3-15/h2-5H2,1H3,(H2,12,14)
InChIKeyYSYBXBIPPIEVRT-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.34
Rot. Bonds2

About methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate

methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate (PubChem CID 2797296) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate
PubChem CID2797296
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Namemethyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(N2CCOCC2)nc1N
InChIInChI=1S/C10H13ClN4O3/c1-17-10(16)6-8(12)14-9(7(11)13-6)15-2-4-18-5-3-15/h2-5H2,1H3,(H2,12,14)
InChIKeyYSYBXBIPPIEVRT-UHFFFAOYSA-N
XLogP0.34
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate (CID 2797296) is methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(N2CCOCC2)nc1N.
What is the InChIKey of methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate?
The InChIKey is YSYBXBIPPIEVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-17-10(16)6-8(12)14-9(7(11)13-6)15-2-4-18-5-3-15/h2-5H2,1H3,(H2,12,14).
What are the key properties of methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate has a molecular weight of 272.69 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-morpholin-4-ylpyrazine-2-carboxylate is sourced from PubChem (CID 2797296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).