ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate

C10H10N4O5 — CID 43841771

IUPACethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1cn(CC#N)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N4O5/c1-2-19-10(18)13-8(16)6-5-14(4-3-11)9(17)12-7(6)15/h5H,2,4H2,1H3,(H,12,15,17)(H,13,16,18)
InChIKeyGWVKDWSAFKQMGE-UHFFFAOYSA-N
MW266.21 g/mol
LogP-1.05
Rot. Bonds3

About ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate

ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate (PubChem CID 43841771) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate
PubChem CID43841771
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Nameethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1cn(CC#N)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N4O5/c1-2-19-10(18)13-8(16)6-5-14(4-3-11)9(17)12-7(6)15/h5H,2,4H2,1H3,(H,12,15,17)(H,13,16,18)
InChIKeyGWVKDWSAFKQMGE-UHFFFAOYSA-N
XLogP-1.05
TPSA134.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The IUPAC name of ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate (CID 43841771) is ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The canonical SMILES for ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate is CCOC(=O)NC(=O)c1cn(CC#N)c(=O)[nH]c1=O.
What is the InChIKey of ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate?
The InChIKey is GWVKDWSAFKQMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c1-2-19-10(18)13-8(16)6-5-14(4-3-11)9(17)12-7(6)15/h5H,2,4H2,1H3,(H,12,15,17)(H,13,16,18).
What are the key properties of ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate?
ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate has a molecular weight of 266.21 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(cyanomethyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate is sourced from PubChem (CID 43841771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).