(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate

C14H15N3O2 — CID 16594706

IUPAC(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate
SMILESCc1ccc(C)c(COC(=O)c2nccnc2N)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-10(2)11(7-9)8-19-14(18)12-13(15)17-6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,17)
InChIKeyIRISYBJLZKJDSM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds3

About (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate

(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate (PubChem CID 16594706) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate
PubChem CID16594706
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate
SMILESCc1ccc(C)c(COC(=O)c2nccnc2N)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-10(2)11(7-9)8-19-14(18)12-13(15)17-6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,17)
InChIKeyIRISYBJLZKJDSM-UHFFFAOYSA-N
XLogP2.03
TPSA78.10 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate
CID 43039024
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 7469234
(2,5-dimethylphenyl)methyl 4-amino-3-fluorobenzoate
CID 62681353
(2,5-dimethylphenyl)methyl 1,5-dimethylpyrazole-4-carboxylate
CID 55541696
3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine
CID 2735321
(2,5-dimethylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61481787
(7-methoxy-2-oxochromen-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 7469232
(2,5-dimethylphenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62815629
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
(2,5-dimethylphenyl)methyl 2-nitrobenzoate
CID 2662210
2-cyclopropylethyl 3-aminopyrazine-2-carboxylate
CID 103714850
(2,5-dimethylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994009

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate (CID 16594706) is (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate is Cc1ccc(C)c(COC(=O)c2nccnc2N)c1.
What is the InChIKey of (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate?
The InChIKey is IRISYBJLZKJDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-4-10(2)11(7-9)8-19-14(18)12-13(15)17-6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,17).
What are the key properties of (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate?
(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 16594706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).