tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H26N4O3 — CID 103397962

IUPACtert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(C)C(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-9-8-16-11(10-18)15-7-6-12(19)17(4)5/h6-10H2,1-5H3,(H,15,16)
InChIKeyBJCXBQLLSOTVSD-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.70
Rot. Bonds3

About tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397962) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397962
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(C)C(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-9-8-16-11(10-18)15-7-6-12(19)17(4)5/h6-10H2,1-5H3,(H,15,16)
InChIKeyBJCXBQLLSOTVSD-UHFFFAOYSA-N
XLogP0.70
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
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-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397962) is tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN(C)C(=O)CCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is BJCXBQLLSOTVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-9-8-16-11(10-18)15-7-6-12(19)17(4)5/h6-10H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[3-(dimethylamino)-3-oxopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).