methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate

C12H18N4O2 — CID 66449146

IUPACmethyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C12H18N4O2/c1-15(2)9-4-5-16(8-9)11-7-13-6-10(14-11)12(17)18-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyCCGLGAUJGXLKAS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.40
Rot. Bonds3

About methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate

methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate (PubChem CID 66449146) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
PubChem CID66449146
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C12H18N4O2/c1-15(2)9-4-5-16(8-9)11-7-13-6-10(14-11)12(17)18-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyCCGLGAUJGXLKAS-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456988
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrazin-2-amine
CID 80831870
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 114406547
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175
methyl 4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 114214390
methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66450885

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate (CID 66449146) is methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCC(N(C)C)C2)n1.
What is the InChIKey of methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is CCGLGAUJGXLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(2)9-4-5-16(8-9)11-7-13-6-10(14-11)12(17)18-3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate?
methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(dimethylamino)pyrrolidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 66449146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).