5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C19H19FN2O4 — CID 58317017

IUPAC5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCC[C@@H](Oc1nc2oc(=O)cc(CC)c2c(=O)[nH]1)c1ccccc1F
InChIInChI=1S/C19H19FN2O4/c1-3-7-14(12-8-5-6-9-13(12)20)25-19-21-17(24)16-11(4-2)10-15(23)26-18(16)22-19/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,21,22,24)/t14-/m1/s1
InChIKeyCWYLNERYXOPIKS-CQSZACIVSA-N
MW358.37 g/mol
LogP3.50
Rot. Bonds6

About 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58317017) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58317017
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCC[C@@H](Oc1nc2oc(=O)cc(CC)c2c(=O)[nH]1)c1ccccc1F
InChIInChI=1S/C19H19FN2O4/c1-3-7-14(12-8-5-6-9-13(12)20)25-19-21-17(24)16-11(4-2)10-15(23)26-18(16)22-19/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,21,22,24)/t14-/m1/s1
InChIKeyCWYLNERYXOPIKS-CQSZACIVSA-N
XLogP3.50
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58317017) is 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCC[C@@H](Oc1nc2oc(=O)cc(CC)c2c(=O)[nH]1)c1ccccc1F.
What is the InChIKey of 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is CWYLNERYXOPIKS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-3-7-14(12-8-5-6-9-13(12)20)25-19-21-17(24)16-11(4-2)10-15(23)26-18(16)22-19/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,21,22,24)/t14-/m1/s1.
What are the key properties of 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 358.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58317017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).