ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate

C10H16N4O4 — CID 171897017

IUPACethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1cnc(N)c(N)n1
InChIInChI=1S/C10H16N4O4/c1-2-18-7(16)3-6(15)8(17)5-4-13-9(11)10(12)14-5/h4,6,8,15,17H,2-3H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyPCTSDQPVBRIUEV-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.01
Rot. Bonds5

About ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate

ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate (PubChem CID 171897017) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate
PubChem CID171897017
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Nameethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1cnc(N)c(N)n1
InChIInChI=1S/C10H16N4O4/c1-2-18-7(16)3-6(15)8(17)5-4-13-9(11)10(12)14-5/h4,6,8,15,17H,2-3H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyPCTSDQPVBRIUEV-UHFFFAOYSA-N
XLogP-1.01
TPSA144.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897021
ethyl 3,4-dihydroxy-4-(5-hydroxypyrimidin-2-yl)butanoate
CID 171896844
ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171896822
ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896832
ethyl 3,4-dihydroxy-4-(4-methyl-2-pyridinyl)butanoate
CID 171896871
ethyl 4-(5-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897024
ethyl 3,4-dihydroxy-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)butanoate
CID 171897561
ethyl 3,4-dihydroxy-4-(1,2-oxazol-4-yl)butanoate
CID 171896770
ethyl 3-(5-amino-6-methoxypyrazin-2-yl)-2,3-dihydroxypropanoate
CID 171866243
3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid
CID 171866602
ethyl 4-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-3,4-dihydroxybutanoate
CID 171898002
ethyl 4-(3,5-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896963

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate?
The IUPAC name of ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate (CID 171897017) is ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate?
The canonical SMILES for ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate is CCOC(=O)CC(O)C(O)c1cnc(N)c(N)n1.
What is the InChIKey of ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate?
The InChIKey is PCTSDQPVBRIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-2-18-7(16)3-6(15)8(17)5-4-13-9(11)10(12)14-5/h4,6,8,15,17H,2-3H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate?
ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate has a molecular weight of 256.26 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171897017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).