methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate

C14H24N4O2 — CID 64704163

IUPACmethyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)N1CCn2ccnc2C1)C(=O)OC
InChIInChI=1S/C14H24N4O2/c1-11(9-14(2,15-3)13(19)20-4)18-8-7-17-6-5-16-12(17)10-18/h5-6,11,15H,7-10H2,1-4H3
InChIKeyDMFVTYFFCYMUPB-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.63
Rot. Bonds5

About methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate

methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 64704163) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate
PubChem CID64704163
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCNC(C)(CC(C)N1CCn2ccnc2C1)C(=O)OC
InChIInChI=1S/C14H24N4O2/c1-11(9-14(2,15-3)13(19)20-4)18-8-7-17-6-5-16-12(17)10-18/h5-6,11,15H,7-10H2,1-4H3
InChIKeyDMFVTYFFCYMUPB-UHFFFAOYSA-N
XLogP0.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate (CID 64704163) is methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate is CNC(C)(CC(C)N1CCn2ccnc2C1)C(=O)OC.
What is the InChIKey of methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is DMFVTYFFCYMUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(9-14(2,15-3)13(19)20-4)18-8-7-17-6-5-16-12(17)10-18/h5-6,11,15H,7-10H2,1-4H3.
What are the key properties of methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate?
methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 280.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64704163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).