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

C13H22N4O3 — CID 115657447

IUPACtert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
SMILESCn1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16-7-5-6-14-10-11(18)17(4)9-8-15-10/h8-9H,5-7H2,1-4H3,(H,14,15)(H,16,19)
InChIKeyMUMDUOIOEYNBHY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.11
Rot. Bonds5

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

tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate (PubChem CID 115657447) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
PubChem CID115657447
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Nametert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
SMILESCn1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16-7-5-6-14-10-11(18)17(4)9-8-15-10/h8-9H,5-7H2,1-4H3,(H,14,15)(H,16,19)
InChIKeyMUMDUOIOEYNBHY-UHFFFAOYSA-N
XLogP1.11
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.11
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-[(4R)-4-hydroxy-4-(1-methylimidazol-2-yl)butyl]carbamate
CID 131724444
1-methyl-3-(octylamino)pyrazin-2-one
CID 113337455
tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 115611765
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939727
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazole-2-sulfonic acid
CID 164578125
tert-butyl N-[3-[(3-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517926
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrazin-2-one
CID 103696656
tert-butyl N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]carbamate
CID 115777406
N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192
tert-butyl N-[3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136977510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate (CID 115657447) is tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate is Cn1ccnc(NCCCNC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate?
The InChIKey is MUMDUOIOEYNBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16-7-5-6-14-10-11(18)17(4)9-8-15-10/h8-9H,5-7H2,1-4H3,(H,14,15)(H,16,19).
What are the key properties of tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate is sourced from PubChem (CID 115657447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).