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

C16H32N4O2 — CID 103398038

IUPACtert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)C(CN(C)C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-12(2)13(10-19(6)7)18-14-11-20(9-8-17-14)15(21)22-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,18)
InChIKeyZVMRAFBCWMFJCR-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.81
Rot. Bonds4

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

tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398038) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398038
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)C(CN(C)C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-12(2)13(10-19(6)7)18-14-11-20(9-8-17-14)15(21)22-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,18)
InChIKeyZVMRAFBCWMFJCR-UHFFFAOYSA-N
XLogP1.81
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.81
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)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398038) is tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)C(CN(C)C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is ZVMRAFBCWMFJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-12(2)13(10-19(6)7)18-14-11-20(9-8-17-14)15(21)22-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,17,18).
What are the key properties of tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 312.46 g/mol, XLogP of 1.81, 4 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)-3-methylbutan-2-yl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).