(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide

C14H19N3O5 — CID 47090911

IUPAC(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)NOC2CCCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N3O5/c1-16-9-10(13(19)17(2)14(16)20)6-7-11(18)15-22-12-5-3-4-8-21-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,18)/b7-6+
InChIKeyWZCPYIUYDPQXCX-VOTSOKGWSA-N
MW309.32 g/mol
LogP-0.33
Rot. Bonds4

About (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide (PubChem CID 47090911) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide
PubChem CID47090911
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)NOC2CCCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N3O5/c1-16-9-10(13(19)17(2)14(16)20)6-7-11(18)15-22-12-5-3-4-8-21-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,18)/b7-6+
InChIKeyWZCPYIUYDPQXCX-VOTSOKGWSA-N
XLogP-0.33
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide 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 (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide (CID 47090911) is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide is Cn1cc(/C=C/C(=O)NOC2CCCCO2)c(=O)n(C)c1=O.
What is the InChIKey of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide?
The InChIKey is WZCPYIUYDPQXCX-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-16-9-10(13(19)17(2)14(16)20)6-7-11(18)15-22-12-5-3-4-8-21-12/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,18)/b7-6+.
What are the key properties of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide?
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide has a molecular weight of 309.32 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(oxan-2-yloxy)prop-2-enamide is sourced from PubChem (CID 47090911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).