methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate

C8H11FN4O2 — CID 148550292

IUPACmethyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate
SMILESCOC(=O)c1nc(F)c(N(C)C)nc1N
InChIInChI=1S/C8H11FN4O2/c1-13(2)7-5(9)11-4(6(10)12-7)8(14)15-3/h1-3H3,(H2,10,12)
InChIKeyAPOAFJIODAJZAH-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.05
Rot. Bonds2

About methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate

methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate (PubChem CID 148550292) has the molecular formula C8H11FN4O2 and a molecular weight of 214.20 g/mol. Its IUPAC name is methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate
PubChem CID148550292
Molecular FormulaC8H11FN4O2
Molecular Weight214.20 g/mol
Exact Mass214.09
IUPAC Namemethyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate
SMILESCOC(=O)c1nc(F)c(N(C)C)nc1N
InChIInChI=1S/C8H11FN4O2/c1-13(2)7-5(9)11-4(6(10)12-7)8(14)15-3/h1-3H3,(H2,10,12)
InChIKeyAPOAFJIODAJZAH-UHFFFAOYSA-N
XLogP0.05
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-amino-5,6-dimethylpyrazine-2-carboxylate
CID 222765
Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
CID 73827
Methyl 6-acetyl-3,5-diaminopyrazine-2-carboxylate
CID 10443083
Ethyl 3-amino-5,6-dimethylpyrazine-2-carboxylate
CID 12439917
Methyl 3-amino-6-chloro-5-(diethylamino)pyrazine-2-carboxylate
CID 14042147
Pyrazinecarboxylic acid, 3-amino-6-chloro-5-((2,2,2-trifluoroethyl)amino)-, methyl ester
CID 3014007
Methyl 3,5-diamino-6-fluoropyrazinoate
CID 20355849
Ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
3-Amino-6-(dimethylamino)-5-(trifluoromethyl)pyrazine-2-carboxylic acid
CID 89443770
Methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate
CID 166484907
Methyl 3-amino-6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
CID 178088289
Methyl 3-amino-6-chloro-5-(propan-2-ylamino)pyrazine-2-carboxylate
CID 2781563

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate (CID 148550292) is methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate is COC(=O)c1nc(F)c(N(C)C)nc1N.
What is the InChIKey of methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate?
The InChIKey is APOAFJIODAJZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O2/c1-13(2)7-5(9)11-4(6(10)12-7)8(14)15-3/h1-3H3,(H2,10,12).
What are the key properties of methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate?
methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate has a molecular weight of 214.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(dimethylamino)-6-fluoropyrazine-2-carboxylate is sourced from PubChem (CID 148550292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).