methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate

C16H20N4O2 — CID 14042143

IUPACmethyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate
SMILESCCN(CC)c1nc(N)c(C(=O)OC)nc1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-4-20(5-2)15-12(11-9-7-6-8-10-11)18-13(14(17)19-15)16(21)22-3/h6-10H,4-5H2,1-3H3,(H2,17,19)
InChIKeyUAMKATFSVBYBCK-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.36
Rot. Bonds5

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

methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate (PubChem CID 14042143) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate
PubChem CID14042143
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Namemethyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate
SMILESCCN(CC)c1nc(N)c(C(=O)OC)nc1-c1ccccc1
InChIInChI=1S/C16H20N4O2/c1-4-20(5-2)15-12(11-9-7-6-8-10-11)18-13(14(17)19-15)16(21)22-3/h6-10H,4-5H2,1-3H3,(H2,17,19)
InChIKeyUAMKATFSVBYBCK-UHFFFAOYSA-N
XLogP2.36
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-Amino-1-benzyl-1H-imidazole-4-carboxylate
CID 2815691
Ethyl 5-(benzylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404629
Ethyl 5-(2,6-dimethylmorpholin-4-yl)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6412596
3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-phenylpyrazine-2-carboxamide
CID 11152403
Ethyl 5-(methylamino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404626
3-Amino-5-(1-benzyl-piperidin-4-ylamino)-6-chloro-pyrazine-2-carboxylic acid methyl ester
CID 10571539
Brl 51242
CID 135443540
3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 171038026
3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-phenylpyrazine-2-carboxamide
CID 177376669
3-amino-N-(diaminomethylidene)-6-(4-fluorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxamide
CID 177376670
3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-(2-methylphenyl)pyrazine-2-carboxamide
CID 177376679
3-amino-N-(diaminomethylidene)-5-[2-hydroxyethyl(methyl)amino]-6-(3-methylphenyl)pyrazine-2-carboxamide
CID 177376680

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate (CID 14042143) is methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate is CCN(CC)c1nc(N)c(C(=O)OC)nc1-c1ccccc1.
What is the InChIKey of methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate?
The InChIKey is UAMKATFSVBYBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-20(5-2)15-12(11-9-7-6-8-10-11)18-13(14(17)19-15)16(21)22-3/h6-10H,4-5H2,1-3H3,(H2,17,19).
What are the key properties of methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate?
methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(diethylamino)-6-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 14042143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).