ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate

C15H17N3O6 — CID 59304692

IUPACethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate
SMILESCCOC(=O)NOc1nc2oc(=O)cc(CCC3CC3)c2c(=O)[nH]1
InChIInChI=1S/C15H17N3O6/c1-2-22-15(21)18-24-14-16-12(20)11-9(6-5-8-3-4-8)7-10(19)23-13(11)17-14/h7-8H,2-6H2,1H3,(H,18,21)(H,16,17,20)
InChIKeyYANIEISYYSHWRL-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.26
Rot. Bonds6

About ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate

ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate (PubChem CID 59304692) has the molecular formula C15H17N3O6 and a molecular weight of 335.32 g/mol. Its IUPAC name is ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate.

Molecular Properties

Compound Nameethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate
PubChem CID59304692
Molecular FormulaC15H17N3O6
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Nameethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate
SMILESCCOC(=O)NOc1nc2oc(=O)cc(CCC3CC3)c2c(=O)[nH]1
InChIInChI=1S/C15H17N3O6/c1-2-22-15(21)18-24-14-16-12(20)11-9(6-5-8-3-4-8)7-10(19)23-13(11)17-14/h7-8H,2-6H2,1H3,(H,18,21)(H,16,17,20)
InChIKeyYANIEISYYSHWRL-UHFFFAOYSA-N
XLogP1.26
TPSA123.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]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-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate?
The IUPAC name of ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate (CID 59304692) is ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate.
What is the SMILES notation for ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate?
The canonical SMILES for ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate is CCOC(=O)NOc1nc2oc(=O)cc(CCC3CC3)c2c(=O)[nH]1.
What is the InChIKey of ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate?
The InChIKey is YANIEISYYSHWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6/c1-2-22-15(21)18-24-14-16-12(20)11-9(6-5-8-3-4-8)7-10(19)23-13(11)17-14/h7-8H,2-6H2,1H3,(H,18,21)(H,16,17,20).
What are the key properties of ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate?
ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate has a molecular weight of 335.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[5-(2-cyclopropylethyl)-4,7-dioxo-3H-pyrano[2,3-d]pyrimidin-2-yl]oxy]carbamate is sourced from PubChem (CID 59304692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).