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

C19H23FN2O3 — CID 58187422

IUPAC5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCC3CC3C3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C19H23FN2O3/c1-10(20)17-21-18(24)16-13(9-15(23)25-19(16)22-17)7-6-12-8-14(12)11-4-2-3-5-11/h9-12,14H,2-8H2,1H3,(H,21,22,24)
InChIKeyQITWXXLBCPTOGM-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.67
Rot. Bonds5

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

5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187422) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187422
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCC3CC3C3CCCC3)c2c(=O)[nH]1
InChIInChI=1S/C19H23FN2O3/c1-10(20)17-21-18(24)16-13(9-15(23)25-19(16)22-17)7-6-12-8-14(12)11-4-2-3-5-11/h9-12,14H,2-8H2,1H3,(H,21,22,24)
InChIKeyQITWXXLBCPTOGM-UHFFFAOYSA-N
XLogP3.67
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187422) is 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(CCC3CC3C3CCCC3)c2c(=O)[nH]1.
What is the InChIKey of 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is QITWXXLBCPTOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-10(20)17-21-18(24)16-13(9-15(23)25-19(16)22-17)7-6-12-8-14(12)11-4-2-3-5-11/h9-12,14H,2-8H2,1H3,(H,21,22,24).
What are the key properties of 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 346.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-cyclopentylcyclopropyl)ethyl]-2-(1-fluoroethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).