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

C17H19FN2O3 — CID 58187458

IUPAC5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCC3(C4CC4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C17H19FN2O3/c1-9(18)14-19-15(22)13-10(8-12(21)23-16(13)20-14)4-5-17(6-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3,(H,19,20,22)
InChIKeyLFGQCWZQPJDZIX-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.03
Rot. Bonds5

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

5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187458) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187458
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCC3(C4CC4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C17H19FN2O3/c1-9(18)14-19-15(22)13-10(8-12(21)23-16(13)20-14)4-5-17(6-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3,(H,19,20,22)
InChIKeyLFGQCWZQPJDZIX-UHFFFAOYSA-N
XLogP3.03
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187458) is 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(CCC3(C4CC4)CC3)c2c(=O)[nH]1.
What is the InChIKey of 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is LFGQCWZQPJDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-9(18)14-19-15(22)13-10(8-12(21)23-16(13)20-14)4-5-17(6-7-17)11-2-3-11/h8-9,11H,2-7H2,1H3,(H,19,20,22).
What are the key properties of 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 318.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclopropylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).