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

C17H21FN2O3 — CID 58187660

IUPAC2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCC1CC1CCc1cc(=O)oc2nc(C(C)F)[nH]c(=O)c12
InChIInChI=1S/C17H21FN2O3/c1-3-4-10-7-11(10)5-6-12-8-13(21)23-17-14(12)16(22)19-15(20-17)9(2)18/h8-11H,3-7H2,1-2H3,(H,19,20,22)
InChIKeyBBBSKDXJCHQAEO-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.28
Rot. Bonds6

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

2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187660) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187660
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCCC1CC1CCc1cc(=O)oc2nc(C(C)F)[nH]c(=O)c12
InChIInChI=1S/C17H21FN2O3/c1-3-4-10-7-11(10)5-6-12-8-13(21)23-17-14(12)16(22)19-15(20-17)9(2)18/h8-11H,3-7H2,1-2H3,(H,19,20,22)
InChIKeyBBBSKDXJCHQAEO-UHFFFAOYSA-N
XLogP3.28
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.28
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-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187660) is 2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCCC1CC1CCc1cc(=O)oc2nc(C(C)F)[nH]c(=O)c12.
What is the InChIKey of 2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BBBSKDXJCHQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-3-4-10-7-11(10)5-6-12-8-13(21)23-17-14(12)16(22)19-15(20-17)9(2)18/h8-11H,3-7H2,1-2H3,(H,19,20,22).
What are the key properties of 2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 320.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-[2-(2-propylcyclopropyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).