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

C15H15FN2O4 — CID 58187743

IUPAC5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CC(=O)CC3CC3)c2c(=O)[nH]1
InChIInChI=1S/C15H15FN2O4/c1-7(16)13-17-14(21)12-9(5-10(19)4-8-2-3-8)6-11(20)22-15(12)18-13/h6-8H,2-5H2,1H3,(H,17,18,21)
InChIKeyUXROJZDUOZWJEV-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.82
Rot. Bonds5

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

5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187743) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187743
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CC(=O)CC3CC3)c2c(=O)[nH]1
InChIInChI=1S/C15H15FN2O4/c1-7(16)13-17-14(21)12-9(5-10(19)4-8-2-3-8)6-11(20)22-15(12)18-13/h6-8H,2-5H2,1H3,(H,17,18,21)
InChIKeyUXROJZDUOZWJEV-UHFFFAOYSA-N
XLogP1.82
TPSA93.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187743) is 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(CC(=O)CC3CC3)c2c(=O)[nH]1.
What is the InChIKey of 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is UXROJZDUOZWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-7(16)13-17-14(21)12-9(5-10(19)4-8-2-3-8)6-11(20)22-15(12)18-13/h6-8H,2-5H2,1H3,(H,17,18,21).
What are the key properties of 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 306.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-2-oxopropyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).