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

C12H20N4O3 — CID 115657290

IUPACtert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate
SMILESCn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)15-6-5-13-9-10(17)16(4)8-7-14-9/h7-8H,5-6H2,1-4H3,(H,13,14)(H,15,18)
InChIKeyKLUABWZQEWFALF-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.72
Rot. Bonds4

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

tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate (PubChem CID 115657290) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate
PubChem CID115657290
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nametert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate
SMILESCn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)15-6-5-13-9-10(17)16(4)8-7-14-9/h7-8H,5-6H2,1-4H3,(H,13,14)(H,15,18)
InChIKeyKLUABWZQEWFALF-UHFFFAOYSA-N
XLogP0.72
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.72
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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Related Compounds

tert-butyl N-(3-hydroxypyrazin-2-yl)carbamate
CID 20624434
3-(4-tert-Butoxycarbonyl-1-piperazinyl)-2(1H)-pyrazinone
CID 59013892
tert-butyl 4-(5-bromo-2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
CID 146251961
tert-butyl 4-(5-methyl-2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
CID 156284918
tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate
CID 167107030
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
N-ethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
CID 55155071
3-[Ethyl-[2-(ethylamino)ethyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55155090
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-propylacetamide
CID 55155261
2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 55155262
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-methylacetamide
CID 55156602
N,N-dimethyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetamide
CID 55156603

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate (CID 115657290) is tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate is Cn1ccnc(NCCNC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate?
The InChIKey is KLUABWZQEWFALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)15-6-5-13-9-10(17)16(4)8-7-14-9/h7-8H,5-6H2,1-4H3,(H,13,14)(H,15,18).
What are the key properties of tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate has a molecular weight of 268.32 g/mol, XLogP of 0.72, 4 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-methyl-3-oxopyrazin-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 115657290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).