tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate

C13H18N4O3 — CID 67103400

IUPACtert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate
SMILESCN1C(=O)N(c2cnccn2)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N4O3/c1-13(2,3)20-11(18)9-8-17(12(19)16(9)4)10-7-14-5-6-15-10/h5-7,9H,8H2,1-4H3
InChIKeyLQUXBJBIWQXQSM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.06
Rot. Bonds2

About tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate

tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate (PubChem CID 67103400) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate
PubChem CID67103400
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Nametert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate
SMILESCN1C(=O)N(c2cnccn2)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N4O3/c1-13(2,3)20-11(18)9-8-17(12(19)16(9)4)10-7-14-5-6-15-10/h5-7,9H,8H2,1-4H3
InChIKeyLQUXBJBIWQXQSM-UHFFFAOYSA-N
XLogP1.06
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate (CID 67103400) is tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate is CN1C(=O)N(c2cnccn2)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate?
The InChIKey is LQUXBJBIWQXQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(2,3)20-11(18)9-8-17(12(19)16(9)4)10-7-14-5-6-15-10/h5-7,9H,8H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate?
tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2-oxo-1-pyrazin-2-ylimidazolidine-4-carboxylate is sourced from PubChem (CID 67103400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).