tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate

C14H25N5O2 — CID 102730031

IUPACtert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)N1CCn2ccnc2C1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)17-9-11(8-15)19-7-6-18-5-4-16-12(18)10-19/h4-5,11H,6-10,15H2,1-3H3,(H,17,20)
InChIKeyJYUMDSLXIRIZIN-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.55
Rot. Bonds4

About tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate

tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate (PubChem CID 102730031) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate
PubChem CID102730031
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Nametert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)N1CCn2ccnc2C1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)17-9-11(8-15)19-7-6-18-5-4-16-12(18)10-19/h4-5,11H,6-10,15H2,1-3H3,(H,17,20)
InChIKeyJYUMDSLXIRIZIN-UHFFFAOYSA-N
XLogP0.55
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate (CID 102730031) is tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate is CC(C)(C)OC(=O)NCC(CN)N1CCn2ccnc2C1.
What is the InChIKey of tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate?
The InChIKey is JYUMDSLXIRIZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)17-9-11(8-15)19-7-6-18-5-4-16-12(18)10-19/h4-5,11H,6-10,15H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate?
tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate has a molecular weight of 295.39 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate is sourced from PubChem (CID 102730031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).