tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C17H34N4O2 — CID 103398057

IUPACtert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)CC(CN(C)C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N4O2/c1-13(2)10-14(11-20(6)7)19-15-12-21(9-8-18-15)16(22)23-17(3,4)5/h13-14H,8-12H2,1-7H3,(H,18,19)
InChIKeyLZUIFAAWYFHIQL-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.20
Rot. Bonds5

About tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398057) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398057
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Nametert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)CC(CN(C)C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N4O2/c1-13(2)10-14(11-20(6)7)19-15-12-21(9-8-18-15)16(22)23-17(3,4)5/h13-14H,8-12H2,1-7H3,(H,18,19)
InChIKeyLZUIFAAWYFHIQL-UHFFFAOYSA-N
XLogP2.20
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398057) is tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)CC(CN(C)C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is LZUIFAAWYFHIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-13(2)10-14(11-20(6)7)19-15-12-21(9-8-18-15)16(22)23-17(3,4)5/h13-14H,8-12H2,1-7H3,(H,18,19).
What are the key properties of tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 326.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).