methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate

C13H19N3O2 — CID 79871951

IUPACmethyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCCC2(C)C)n1
InChIInChI=1S/C13H19N3O2/c1-13(2)6-4-5-10(13)16-11-8-14-7-9(15-11)12(17)18-3/h7-8,10H,4-6H2,1-3H3,(H,15,16)
InChIKeyQETONRCJHNURSG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.25
Rot. Bonds3

About methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate

methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate (PubChem CID 79871951) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate
PubChem CID79871951
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCCC2(C)C)n1
InChIInChI=1S/C13H19N3O2/c1-13(2)6-4-5-10(13)16-11-8-14-7-9(15-11)12(17)18-3/h7-8,10H,4-6H2,1-3H3,(H,15,16)
InChIKeyQETONRCJHNURSG-UHFFFAOYSA-N
XLogP2.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-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 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
CID 79362831
2-N-(2,2-dimethylcyclopentyl)pyrazine-2,6-diamine
CID 79840009
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
CID 83028949
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carboxylate
CID 106361866
methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
CID 66457542
methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate
CID 66458489
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-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66457122

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate (CID 79871951) is methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCCC2(C)C)n1.
What is the InChIKey of methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate?
The InChIKey is QETONRCJHNURSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)6-4-5-10(13)16-11-8-14-7-9(15-11)12(17)18-3/h7-8,10H,4-6H2,1-3H3,(H,15,16).
What are the key properties of methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate?
methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 79871951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).