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

C14H25N3O3 — CID 145355347

IUPACtert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate
SMILESCCC1(CC)CC(=O)N(C)C(NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C14H25N3O3/c1-7-14(8-2)9-10(18)17(6)11(16-14)15-12(19)20-13(3,4)5/h7-9H2,1-6H3,(H,15,16,19)
InChIKeyFCDAIVMCEYMLLG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.29
Rot. Bonds2

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

tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate (PubChem CID 145355347) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate
PubChem CID145355347
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate
SMILESCCC1(CC)CC(=O)N(C)C(NC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C14H25N3O3/c1-7-14(8-2)9-10(18)17(6)11(16-14)15-12(19)20-13(3,4)5/h7-9H2,1-6H3,(H,15,16,19)
InChIKeyFCDAIVMCEYMLLG-UHFFFAOYSA-N
XLogP2.29
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate (CID 145355347) is tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate is CCC1(CC)CC(=O)N(C)C(NC(=O)OC(C)(C)C)=N1.
What is the InChIKey of tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate?
The InChIKey is FCDAIVMCEYMLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-7-14(8-2)9-10(18)17(6)11(16-14)15-12(19)20-13(3,4)5/h7-9H2,1-6H3,(H,15,16,19).
What are the key properties of tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate?
tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate has a molecular weight of 283.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,4-diethyl-1-methyl-6-oxo-5H-pyrimidin-2-yl)carbamate is sourced from PubChem (CID 145355347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).