tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate

C13H23N3O3 — CID 130357186

IUPACtert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate
SMILESCCC1(CC)CC(=O)NC(NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C13H23N3O3/c1-6-13(7-2)8-9(17)14-10(16-13)15-11(18)19-12(3,4)5/h6-8H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyQMJPEYQZESKENV-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.95
Rot. Bonds2

About tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate

tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate (PubChem CID 130357186) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate
PubChem CID130357186
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate
SMILESCCC1(CC)CC(=O)NC(NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C13H23N3O3/c1-6-13(7-2)8-9(17)14-10(16-13)15-11(18)19-12(3,4)5/h6-8H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyQMJPEYQZESKENV-UHFFFAOYSA-N
XLogP1.95
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate (CID 130357186) is tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate is CCC1(CC)CC(=O)NC(NC(=O)OC(C)(C)C)=N1.
What is the InChIKey of tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate?
The InChIKey is QMJPEYQZESKENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-6-13(7-2)8-9(17)14-10(16-13)15-11(18)19-12(3,4)5/h6-8H2,1-5H3,(H2,14,15,16,17,18).
What are the key properties of tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate?
tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate has a molecular weight of 269.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-diethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate is sourced from PubChem (CID 130357186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).