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

C10H15ClN4O2 — CID 14042147

IUPACmethyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate
SMILESCCN(CC)c1nc(N)c(C(=O)OC)nc1Cl
InChIInChI=1S/C10H15ClN4O2/c1-4-15(5-2)9-7(11)13-6(8(12)14-9)10(16)17-3/h4-5H2,1-3H3,(H2,12,14)
InChIKeyLREGUCPHNWBUTG-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.35
Rot. Bonds4

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

methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate (PubChem CID 14042147) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate
PubChem CID14042147
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Namemethyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate
SMILESCCN(CC)c1nc(N)c(C(=O)OC)nc1Cl
InChIInChI=1S/C10H15ClN4O2/c1-4-15(5-2)9-7(11)13-6(8(12)14-9)10(16)17-3/h4-5H2,1-3H3,(H2,12,14)
InChIKeyLREGUCPHNWBUTG-UHFFFAOYSA-N
XLogP1.35
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate (CID 14042147) is methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate is CCN(CC)c1nc(N)c(C(=O)OC)nc1Cl.
What is the InChIKey of methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate?
The InChIKey is LREGUCPHNWBUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-4-15(5-2)9-7(11)13-6(8(12)14-9)10(16)17-3/h4-5H2,1-3H3,(H2,12,14).
What are the key properties of methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate has a molecular weight of 258.71 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 14042147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).