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

C11H19N3O3 — CID 130357342

IUPACtert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate
SMILESCC1(C)CC(=O)NC(NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C11H19N3O3/c1-10(2,3)17-9(16)13-8-12-7(15)6-11(4,5)14-8/h6H2,1-5H3,(H2,12,13,14,15,16)
InChIKeyTUIDHZPPFJVTAH-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.17
Rot. Bonds

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

tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate (PubChem CID 130357342) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate
PubChem CID130357342
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate
SMILESCC1(C)CC(=O)NC(NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C11H19N3O3/c1-10(2,3)17-9(16)13-8-12-7(15)6-11(4,5)14-8/h6H2,1-5H3,(H2,12,13,14,15,16)
InChIKeyTUIDHZPPFJVTAH-UHFFFAOYSA-N
XLogP1.17
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.17
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-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate (CID 130357342) is tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate is CC1(C)CC(=O)NC(NC(=O)OC(C)(C)C)=N1.
What is the InChIKey of tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate?
The InChIKey is TUIDHZPPFJVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-10(2,3)17-9(16)13-8-12-7(15)6-11(4,5)14-8/h6H2,1-5H3,(H2,12,13,14,15,16).
What are the key properties of tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate?
tert-butyl N-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate has a molecular weight of 241.29 g/mol, XLogP of 1.17, 0 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-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)carbamate is sourced from PubChem (CID 130357342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).