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

C21H21FN2O3 — CID 58187497

IUPAC2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C21H21FN2O3/c1-13(22)18-23-19(26)17-14(12-16(25)27-20(17)24-18)6-5-9-21(10-11-21)15-7-3-2-4-8-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,23,24,26)
InChIKeyGMRNJABDHIOLHL-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.96
Rot. Bonds6

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

2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187497) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187497
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C21H21FN2O3/c1-13(22)18-23-19(26)17-14(12-16(25)27-20(17)24-18)6-5-9-21(10-11-21)15-7-3-2-4-8-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,23,24,26)
InChIKeyGMRNJABDHIOLHL-UHFFFAOYSA-N
XLogP3.96
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187497) is 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(CCCC3(c4ccccc4)CC3)c2c(=O)[nH]1.
What is the InChIKey of 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is GMRNJABDHIOLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-13(22)18-23-19(26)17-14(12-16(25)27-20(17)24-18)6-5-9-21(10-11-21)15-7-3-2-4-8-15/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,23,24,26).
What are the key properties of 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 368.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).