methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate

C14H15N3O2 — CID 66457941

IUPACmethyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C14H15N3O2/c1-9-4-5-11(10(2)6-9)16-13-8-15-7-12(17-13)14(18)19-3/h4-8H,1-3H3,(H,16,17)
InChIKeyVIUKPYYVQGSYHM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.62
Rot. Bonds3

About methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate

methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate (PubChem CID 66457941) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
PubChem CID66457941
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C14H15N3O2/c1-9-4-5-11(10(2)6-9)16-13-8-15-7-12(17-13)14(18)19-3/h4-8H,1-3H3,(H,16,17)
InChIKeyVIUKPYYVQGSYHM-UHFFFAOYSA-N
XLogP2.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate
CID 107636127
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
CID 66457948
methyl 6-(4-chloro-2-fluoroanilino)pyrazine-2-carboxylate
CID 66451231
methyl 6-(2-chloro-4-iodoanilino)pyrazine-2-carboxylate
CID 107607035
methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate
CID 66449466
methyl 6-(3-bromo-2-methylanilino)pyrazine-2-carboxylate
CID 107636036
methyl 6-(2,3,5-trifluoroanilino)pyrazine-2-carboxylate
CID 66451689
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
methyl 2-[[5-(2,4-dimethylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962994

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate (CID 66457941) is methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2ccc(C)cc2C)n1.
What is the InChIKey of methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate?
The InChIKey is VIUKPYYVQGSYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-4-5-11(10(2)6-9)16-13-8-15-7-12(17-13)14(18)19-3/h4-8H,1-3H3,(H,16,17).
What are the key properties of methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate?
methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 66457941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).