methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate

C8H9N3O5 — CID 901779

IUPACmethyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
SMILESCOC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O5/c1-11-3-4(5(12)9-7(11)14)6(13)10-8(15)16-2/h3H,1-2H3,(H,9,12,14)(H,10,13,15)
InChIKeyQUIOEEJYIDFLIS-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.43
Rot. Bonds1

About methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate

methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate (PubChem CID 901779) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
PubChem CID901779
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Namemethyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
SMILESCOC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O5/c1-11-3-4(5(12)9-7(11)14)6(13)10-8(15)16-2/h3H,1-2H3,(H,9,12,14)(H,10,13,15)
InChIKeyQUIOEEJYIDFLIS-UHFFFAOYSA-N
XLogP-1.43
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The IUPAC name of methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate (CID 901779) is methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The canonical SMILES for methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate is COC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The InChIKey is QUIOEEJYIDFLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c1-11-3-4(5(12)9-7(11)14)6(13)10-8(15)16-2/h3H,1-2H3,(H,9,12,14)(H,10,13,15).
What are the key properties of methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate has a molecular weight of 227.18 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate is sourced from PubChem (CID 901779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).