5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C18H23FN2O3 — CID 58187692

IUPAC5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCCC1CC1CCc1cc(=O)oc2nc(C(C)F)[nH]c(=O)c12
InChIInChI=1S/C18H23FN2O3/c1-3-4-5-11-8-12(11)6-7-13-9-14(22)24-18-15(13)17(23)20-16(21-18)10(2)19/h9-12H,3-8H2,1-2H3,(H,20,21,23)
InChIKeyXUKOCRBYXGZXCW-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.67
Rot. Bonds7

About 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187692) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187692
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCCC1CC1CCc1cc(=O)oc2nc(C(C)F)[nH]c(=O)c12
InChIInChI=1S/C18H23FN2O3/c1-3-4-5-11-8-12(11)6-7-13-9-14(22)24-18-15(13)17(23)20-16(21-18)10(2)19/h9-12H,3-8H2,1-2H3,(H,20,21,23)
InChIKeyXUKOCRBYXGZXCW-UHFFFAOYSA-N
XLogP3.67
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione 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 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187692) is 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCCCC1CC1CCc1cc(=O)oc2nc(C(C)F)[nH]c(=O)c12.
What is the InChIKey of 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is XUKOCRBYXGZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-3-4-5-11-8-12(11)6-7-13-9-14(22)24-18-15(13)17(23)20-16(21-18)10(2)19/h9-12H,3-8H2,1-2H3,(H,20,21,23).
What are the key properties of 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 334.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-butylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).