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

C16H19FN2O3 — CID 58187723

IUPAC5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C16H19FN2O3/c1-9(17)14-18-15(21)13-11(7-6-10-4-2-3-5-10)8-12(20)22-16(13)19-14/h8-10H,2-7H2,1H3,(H,18,19,21)
InChIKeyODBSFJFTNKFBNF-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.03
Rot. Bonds4

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

5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187723) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187723
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C16H19FN2O3/c1-9(17)14-18-15(21)13-11(7-6-10-4-2-3-5-10)8-12(20)22-16(13)19-14/h8-10H,2-7H2,1H3,(H,18,19,21)
InChIKeyODBSFJFTNKFBNF-UHFFFAOYSA-N
XLogP3.03
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
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-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187723) is 5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(CCC3CCCC3)c2c(=O)[nH]1.
What is the InChIKey of 5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is ODBSFJFTNKFBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-9(17)14-18-15(21)13-11(7-6-10-4-2-3-5-10)8-12(20)22-16(13)19-14/h8-10H,2-7H2,1H3,(H,18,19,21).
What are the key properties of 5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-(2-cyclopentylethyl)-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 306.34 g/mol, XLogP of 3.03, 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-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).