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

C10H15N3O4 — CID 147916897

IUPACtert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H15N3O4/c1-5-6(7(14)13-8(15)11-5)12-9(16)17-10(2,3)4/h1-4H3,(H,12,16)(H2,11,13,14,15)
InChIKeyIHFZFOYWCKEAOU-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.72
Rot. Bonds1

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

tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate (PubChem CID 147916897) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate
PubChem CID147916897
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Nametert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H15N3O4/c1-5-6(7(14)13-8(15)11-5)12-9(16)17-10(2,3)4/h1-4H3,(H,12,16)(H2,11,13,14,15)
InChIKeyIHFZFOYWCKEAOU-UHFFFAOYSA-N
XLogP0.72
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 45071779
tert-butyl N-(5-methyl-6-oxo-1H-pyrimidin-2-yl)carbamate
CID 91620202
tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
CID 155390204
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(5-formyl-1H-1,2,4-triazol-3-yl)carbamate
CID 20624469
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
tert-butyl N-(2,4-dimethylthiophen-3-yl)carbamate;ethane
CID 155737680
tert-butyl N-(5-bromo-2-oxo-1H-pyrimidin-6-yl)carbamate
CID 69088343
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-(6-bromo-3-methoxy-2-methylphenyl)carbamate
CID 156869532
tert-butyl N-[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4872229
tert-butyl N-(4-cyano-2-ethynyl-6-methylphenyl)carbamate
CID 167737859

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate (CID 147916897) is tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate is Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate?
The InChIKey is IHFZFOYWCKEAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5-6(7(14)13-8(15)11-5)12-9(16)17-10(2,3)4/h1-4H3,(H,12,16)(H2,11,13,14,15).
What are the key properties of tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate?
tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate has a molecular weight of 241.25 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamate is sourced from PubChem (CID 147916897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).