5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C15H17FN2O3 — CID 24954567

IUPAC5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(CCC2CCCC2)c2c(=O)[nH]c(CF)nc2o1
InChIInChI=1S/C15H17FN2O3/c16-8-11-17-14(20)13-10(6-5-9-3-1-2-4-9)7-12(19)21-15(13)18-11/h7,9H,1-6,8H2,(H,17,18,20)
InChIKeyRZAAZWFEQHDPNY-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.47
Rot. Bonds4

About 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 24954567) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID24954567
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(CCC2CCCC2)c2c(=O)[nH]c(CF)nc2o1
InChIInChI=1S/C15H17FN2O3/c16-8-11-17-14(20)13-10(6-5-9-3-1-2-4-9)7-12(19)21-15(13)18-11/h7,9H,1-6,8H2,(H,17,18,20)
InChIKeyRZAAZWFEQHDPNY-UHFFFAOYSA-N
XLogP2.47
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 24954567) is 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is O=c1cc(CCC2CCCC2)c2c(=O)[nH]c(CF)nc2o1.
What is the InChIKey of 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RZAAZWFEQHDPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-8-11-17-14(20)13-10(6-5-9-3-1-2-4-9)7-12(19)21-15(13)18-11/h7,9H,1-6,8H2,(H,17,18,20).
What are the key properties of 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 292.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylethyl)-2-(fluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24954567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).