methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate

C12H18N4O2 — CID 114794650

IUPACmethyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCC2CCCN2)n1
InChIInChI=1S/C12H18N4O2/c1-18-12(17)10-7-13-8-11(16-10)15-6-4-9-3-2-5-14-9/h7-9,14H,2-6H2,1H3,(H,15,16)
InChIKeySCUALJHBNQSYTO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.82
Rot. Bonds5

About methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate

methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate (PubChem CID 114794650) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
PubChem CID114794650
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCC2CCCN2)n1
InChIInChI=1S/C12H18N4O2/c1-18-12(17)10-7-13-8-11(16-10)15-6-4-9-3-2-5-14-9/h7-9,14H,2-6H2,1H3,(H,15,16)
InChIKeySCUALJHBNQSYTO-UHFFFAOYSA-N
XLogP0.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-piperidin-2-ylethylamino)pyrazine-2-carboxamide
CID 122572843
6-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973220
6-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973532
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
methyl 6-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66458088
methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate
CID 80585250
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972856
methyl 6-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carboxylate
CID 114175311
6-methoxy-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973053
N,N-dimethyl-6-(2-pyrrolidin-2-ylethylamino)pyridazine-3-carboxamide
CID 114794623

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate (CID 114794650) is methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NCCC2CCCN2)n1.
What is the InChIKey of methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate?
The InChIKey is SCUALJHBNQSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-12(17)10-7-13-8-11(16-10)15-6-4-9-3-2-5-14-9/h7-9,14H,2-6H2,1H3,(H,15,16).
What are the key properties of methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate?
methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 114794650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).