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

C20H25FN2O3 — CID 58187374

IUPAC5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCCC3CC3C3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C20H25FN2O3/c1-11(21)18-22-19(25)17-14(10-16(24)26-20(17)23-18)8-4-7-13-9-15(13)12-5-2-3-6-12/h10-13,15H,2-9H2,1H3,(H,22,23,25)
InChIKeyZFJRBSRJNLUADU-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.06
Rot. Bonds6

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

5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187374) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187374
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCCC3CC3C3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C20H25FN2O3/c1-11(21)18-22-19(25)17-14(10-16(24)26-20(17)23-18)8-4-7-13-9-15(13)12-5-2-3-6-12/h10-13,15H,2-9H2,1H3,(H,22,23,25)
InChIKeyZFJRBSRJNLUADU-UHFFFAOYSA-N
XLogP4.06
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2-cyclopentylcyclopropyl)propyl]-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-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187374) is 5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(CCCC3CC3C3CCCC3)c2c(=O)[nH]1.
What is the InChIKey of 5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is ZFJRBSRJNLUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-11(21)18-22-19(25)17-14(10-16(24)26-20(17)23-18)8-4-7-13-9-15(13)12-5-2-3-6-12/h10-13,15H,2-9H2,1H3,(H,22,23,25).
What are the key properties of 5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 360.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-cyclopentylcyclopropyl)propyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).