methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate

C14H14FN3O2 — CID 156875136

IUPACmethyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cc2ccc(F)cc2)c(N)nc1C
InChIInChI=1S/C14H14FN3O2/c1-8-12(14(19)20-2)18-11(13(16)17-8)7-9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H2,16,17)
InChIKeyLHKXUSLYKUQDKK-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.88
Rot. Bonds3

About methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate

methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate (PubChem CID 156875136) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate
PubChem CID156875136
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Namemethyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cc2ccc(F)cc2)c(N)nc1C
InChIInChI=1S/C14H14FN3O2/c1-8-12(14(19)20-2)18-11(13(16)17-8)7-9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H2,16,17)
InChIKeyLHKXUSLYKUQDKK-UHFFFAOYSA-N
XLogP1.88
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate (CID 156875136) is methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate is COC(=O)c1nc(Cc2ccc(F)cc2)c(N)nc1C.
What is the InChIKey of methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate?
The InChIKey is LHKXUSLYKUQDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-8-12(14(19)20-2)18-11(13(16)17-8)7-9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H2,16,17).
What are the key properties of methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate?
methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(4-fluorophenyl)methyl]-3-methylpyrazine-2-carboxylate is sourced from PubChem (CID 156875136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).