ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate

C15H18N4O2 — CID 115546031

IUPACethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate
SMILESCCOC(=O)c1cccc(N2CCn3ccnc3C2)c1N
InChIInChI=1S/C15H18N4O2/c1-2-21-15(20)11-4-3-5-12(14(11)16)19-9-8-18-7-6-17-13(18)10-19/h3-7H,2,8-10,16H2,1H3
InChIKeyRLNMOYWCWTYKRQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.66
Rot. Bonds3

About ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate

ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate (PubChem CID 115546031) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate
PubChem CID115546031
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate
SMILESCCOC(=O)c1cccc(N2CCn3ccnc3C2)c1N
InChIInChI=1S/C15H18N4O2/c1-2-21-15(20)11-4-3-5-12(14(11)16)19-9-8-18-7-6-17-13(18)10-19/h3-7H,2,8-10,16H2,1H3
InChIKeyRLNMOYWCWTYKRQ-UHFFFAOYSA-N
XLogP1.66
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-3-(azocan-1-yl)benzoate
CID 115544638
ethyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)benzoate
CID 114539655
ethyl 2-amino-3-(5-oxo-1,4-diazepan-1-yl)benzoate
CID 115546025
ethyl 2-amino-3-(2,6-dimethylthiomorpholin-4-yl)benzoate
CID 115546254
4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzamide
CID 63356456
ethyl 2-amino-3-(2-methylpyrrolidin-1-yl)benzoate
CID 115544087
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine
CID 63026595
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzoate
CID 115546701
(2-amino-6-ethoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81394683
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methoxybenzenecarbothioamide
CID 81305584
ethyl 2-amino-3-(2-methyl-3-oxopiperazin-1-yl)benzoate
CID 115546129
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63015338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate?
The IUPAC name of ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate (CID 115546031) is ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate.
What is the SMILES notation for ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate?
The canonical SMILES for ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate is CCOC(=O)c1cccc(N2CCn3ccnc3C2)c1N.
What is the InChIKey of ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate?
The InChIKey is RLNMOYWCWTYKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-21-15(20)11-4-3-5-12(14(11)16)19-9-8-18-7-6-17-13(18)10-19/h3-7H,2,8-10,16H2,1H3.
What are the key properties of ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate?
ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate has a molecular weight of 286.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)benzoate is sourced from PubChem (CID 115546031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).