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

C18H15FN2O3 — CID 58187561

IUPAC2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(C3C[C@H]3c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C18H15FN2O3/c1-9(19)16-20-17(23)15-13(8-14(22)24-18(15)21-16)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12H,7H2,1H3,(H,20,21,23)/t9?,11-,12?/m0/s1
InChIKeyZEUSRJLCKSJILI-ZYXZCXLHSA-N
MW326.33 g/mol
LogP3.18
Rot. Bonds3

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

2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187561) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187561
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(C3C[C@H]3c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C18H15FN2O3/c1-9(19)16-20-17(23)15-13(8-14(22)24-18(15)21-16)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12H,7H2,1H3,(H,20,21,23)/t9?,11-,12?/m0/s1
InChIKeyZEUSRJLCKSJILI-ZYXZCXLHSA-N
XLogP3.18
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187561) is 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(C3C[C@H]3c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is ZEUSRJLCKSJILI-ZYXZCXLHSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-9(19)16-20-17(23)15-13(8-14(22)24-18(15)21-16)12-7-11(12)10-5-3-2-4-6-10/h2-6,8-9,11-12H,7H2,1H3,(H,20,21,23)/t9?,11-,12?/m0/s1.
What are the key properties of 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 326.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-[(2R)-2-phenylcyclopropyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).