methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate

C10H14N4O2 — CID 66455769

IUPACmethyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCNC2)n1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)8-5-12-6-9(14-8)13-7-2-3-11-4-7/h5-7,11H,2-4H2,1H3,(H,13,14)
InChIKeyKTVGBOMCHBNBFG-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.04
Rot. Bonds3

About methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate

methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate (PubChem CID 66455769) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
PubChem CID66455769
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCNC2)n1
InChIInChI=1S/C10H14N4O2/c1-16-10(15)8-5-12-6-9(14-8)13-7-2-3-11-4-7/h5-7,11H,2-4H2,1H3,(H,13,14)
InChIKeyKTVGBOMCHBNBFG-UHFFFAOYSA-N
XLogP0.04
TPSA76.14 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 ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66457122
methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
CID 66457542
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-(piperidin-3-ylamino)pyridine-2-carboxylate
CID 83841956
methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
CID 83841955
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
CID 66457314
methyl 6-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carboxylate
CID 83028949
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
CID 79362831
methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate
CID 66458489
methyl 6-[(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)amino]pyrazine-2-carboxylate
CID 166292064

Frequently Asked Questions

What is the IUPAC name of methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate (CID 66455769) is methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCNC2)n1.
What is the InChIKey of methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate?
The InChIKey is KTVGBOMCHBNBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-10(15)8-5-12-6-9(14-8)13-7-2-3-11-4-7/h5-7,11H,2-4H2,1H3,(H,13,14).
What are the key properties of methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate?
methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate has a molecular weight of 222.25 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66455769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).