ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate

C12H16N4O6 — CID 1483600

IUPACethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate
SMILESCCOC(=O)NC(=O)c1cn(N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O6/c1-2-22-12(20)14-10(18)8-7-16(11(19)13-9(8)17)15-3-5-21-6-4-15/h7H,2-6H2,1H3,(H,13,17,19)(H,14,18,20)
InChIKeyAUNLKLQGWAWTGM-UHFFFAOYSA-N
MW312.28 g/mol
LogP-1.61
Rot. Bonds3

About ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate

ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate (PubChem CID 1483600) has the molecular formula C12H16N4O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate
PubChem CID1483600
Molecular FormulaC12H16N4O6
Molecular Weight312.28 g/mol
Exact Mass312.11
IUPAC Nameethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate
SMILESCCOC(=O)NC(=O)c1cn(N2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O6/c1-2-22-12(20)14-10(18)8-7-16(11(19)13-9(8)17)15-3-5-21-6-4-15/h7H,2-6H2,1H3,(H,13,17,19)(H,14,18,20)
InChIKeyAUNLKLQGWAWTGM-UHFFFAOYSA-N
XLogP-1.61
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-N-morpholino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778356
5-Methyl-1-morpholin-4-ylpyrimidine-2,4-dione
CID 66960308
1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carboxamide
CID 84555526

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The IUPAC name of ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate (CID 1483600) is ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate.
What is the SMILES notation for ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The canonical SMILES for ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate is CCOC(=O)NC(=O)c1cn(N2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The InChIKey is AUNLKLQGWAWTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O6/c1-2-22-12(20)14-10(18)8-7-16(11(19)13-9(8)17)15-3-5-21-6-4-15/h7H,2-6H2,1H3,(H,13,17,19)(H,14,18,20).
What are the key properties of ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate has a molecular weight of 312.28 g/mol, XLogP of -1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-morpholin-4-yl-2,4-dioxopyrimidine-5-carbonyl)carbamate is sourced from PubChem (CID 1483600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).