methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate

C12H15BrN4O2 — CID 79165276

IUPACmethyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C12H15BrN4O2/c1-12(2,11(18)19-3)16-5-8-4-15-10-6-14-9(13)7-17(8)10/h4,6-7,16H,5H2,1-3H3
InChIKeyQNFBGJWFHCPLHY-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate

methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate (PubChem CID 79165276) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate
PubChem CID79165276
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Namemethyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C12H15BrN4O2/c1-12(2,11(18)19-3)16-5-8-4-15-10-6-14-9(13)7-17(8)10/h4,6-7,16H,5H2,1-3H3
InChIKeyQNFBGJWFHCPLHY-UHFFFAOYSA-N
XLogP1.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate (CID 79165276) is methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate is COC(=O)C(C)(C)NCc1cnc2cnc(Br)cn12.
What is the InChIKey of methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate?
The InChIKey is QNFBGJWFHCPLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-12(2,11(18)19-3)16-5-8-4-15-10-6-14-9(13)7-17(8)10/h4,6-7,16H,5H2,1-3H3.
What are the key properties of methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate?
methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate has a molecular weight of 327.18 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 79165276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).