tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H28N4O3 — CID 103398088

IUPACtert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCNC(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N4O3/c1-5-7-18-13(20)6-8-16-12-11-19(10-9-17-12)14(21)22-15(2,3)4/h5-11H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyOSMWATCRYYOZTN-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.14
Rot. Bonds5

About tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398088) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398088
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Nametert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCNC(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N4O3/c1-5-7-18-13(20)6-8-16-12-11-19(10-9-17-12)14(21)22-15(2,3)4/h5-11H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyOSMWATCRYYOZTN-UHFFFAOYSA-N
XLogP1.14
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl N-[3-(ethanimidoylamino)-3-oxopropyl]carbamate
CID 142039027
tert-butyl N-[3-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl-[3-(methylamino)propyl]amino]-3-oxopropyl]carbamate
CID 156662442
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397845
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849
tert-butyl 6-(2-methylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397851
tert-butyl 6-(pentan-3-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397853
tert-butyl 6-[2-(dimethylamino)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397855
tert-butyl 6-(ethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397856

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398088) is tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCCNC(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is OSMWATCRYYOZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-5-7-18-13(20)6-8-16-12-11-19(10-9-17-12)14(21)22-15(2,3)4/h5-11H2,1-4H3,(H,16,17)(H,18,20).
What are the key properties of tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[3-oxo-3-(propylamino)propyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).