methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate

C11H14N4O3 — CID 66457492

IUPACmethyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC(=O)NC2CC2)n1
InChIInChI=1S/C11H14N4O3/c1-18-11(17)8-4-12-5-9(15-8)13-6-10(16)14-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyDEQVTGVREDURRL-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.05
Rot. Bonds5

About methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate

methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate (PubChem CID 66457492) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
PubChem CID66457492
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Namemethyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC(=O)NC2CC2)n1
InChIInChI=1S/C11H14N4O3/c1-18-11(17)8-4-12-5-9(15-8)13-6-10(16)14-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyDEQVTGVREDURRL-UHFFFAOYSA-N
XLogP-0.05
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
CID 66287042
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956
methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate
CID 80585250
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
CID 66449702
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
CID 115455097
methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
CID 114794650
methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
CID 66457542
methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate (CID 66457492) is methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCC(=O)NC2CC2)n1.
What is the InChIKey of methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate?
The InChIKey is DEQVTGVREDURRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-18-11(17)8-4-12-5-9(15-8)13-6-10(16)14-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate?
methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate has a molecular weight of 250.26 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).