tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate

C15H26N4O3 — CID 103888516

IUPACtert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate
SMILESCC(C)Cn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O3/c1-11(2)10-19-9-8-17-12(13(19)20)16-6-7-18-14(21)22-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,16,17)(H,18,21)
InChIKeyGPMWWQHMRWILTH-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.84
Rot. Bonds6

About tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate (PubChem CID 103888516) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate
PubChem CID103888516
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate
SMILESCC(C)Cn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O3/c1-11(2)10-19-9-8-17-12(13(19)20)16-6-7-18-14(21)22-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,16,17)(H,18,21)
InChIKeyGPMWWQHMRWILTH-UHFFFAOYSA-N
XLogP1.84
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate (CID 103888516) is tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate is CC(C)Cn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate?
The InChIKey is GPMWWQHMRWILTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11(2)10-19-9-8-17-12(13(19)20)16-6-7-18-14(21)22-15(3,4)5/h8-9,11H,6-7,10H2,1-5H3,(H,16,17)(H,18,21).
What are the key properties of tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]carbamate is sourced from PubChem (CID 103888516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).