methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate

C10H14N4O2 — CID 66457542

IUPACmethyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CC(N)C2)n1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)8-4-12-5-9(14-8)13-7-2-6(11)3-7/h4-7H,2-3,11H2,1H3,(H,13,14)
InChIKeyJPZNASZLMVGRRB-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.16
Rot. Bonds3

About methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate

methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate (PubChem CID 66457542) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
PubChem CID66457542
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CC(N)C2)n1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)8-4-12-5-9(14-8)13-7-2-6(11)3-7/h4-7H,2-3,11H2,1H3,(H,13,14)
InChIKeyJPZNASZLMVGRRB-UHFFFAOYSA-N
XLogP0.16
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
methyl 6-[(1-methylpiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66455915
methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate
CID 66457874
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
CID 79362831
methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66457122
methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
CID 83028949
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
CID 66457314
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
CID 114504550
methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate
CID 79871951
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carboxylate
CID 106361866

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate (CID 66457542) is methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CC(N)C2)n1.
What is the InChIKey of methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate?
The InChIKey is JPZNASZLMVGRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-10(15)8-4-12-5-9(14-8)13-7-2-6(11)3-7/h4-7H,2-3,11H2,1H3,(H,13,14).
What are the key properties of methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate?
methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate has a molecular weight of 222.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).