methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate

C13H22N4O2 — CID 63026304

IUPACmethyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN1CCn2ccnc2C1)C(=O)OC
InChIInChI=1S/C13H22N4O2/c1-4-15-13(2,12(18)19-3)10-16-7-8-17-6-5-14-11(17)9-16/h5-6,15H,4,7-10H2,1-3H3
InChIKeyWGYXOJANAYGOLW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.24
Rot. Bonds5

About methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate

methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate (PubChem CID 63026304) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate
PubChem CID63026304
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN1CCn2ccnc2C1)C(=O)OC
InChIInChI=1S/C13H22N4O2/c1-4-15-13(2,12(18)19-3)10-16-7-8-17-6-5-14-11(17)9-16/h5-6,15H,4,7-10H2,1-3H3
InChIKeyWGYXOJANAYGOLW-UHFFFAOYSA-N
XLogP0.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate (CID 63026304) is methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate is CCNC(C)(CN1CCn2ccnc2C1)C(=O)OC.
What is the InChIKey of methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate?
The InChIKey is WGYXOJANAYGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-15-13(2,12(18)19-3)10-16-7-8-17-6-5-14-11(17)9-16/h5-6,15H,4,7-10H2,1-3H3.
What are the key properties of methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate?
methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 63026304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).