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

C18H23FN2O3 — CID 58187398

IUPAC2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCCC3CC3C(C)C)c2c(=O)[nH]1
InChIInChI=1S/C18H23FN2O3/c1-9(2)13-7-11(13)5-4-6-12-8-14(22)24-18-15(12)17(23)20-16(21-18)10(3)19/h8-11,13H,4-7H2,1-3H3,(H,20,21,23)
InChIKeyYAJYNFMJZGJCFL-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.52
Rot. Bonds6

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

2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187398) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187398
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCCC3CC3C(C)C)c2c(=O)[nH]1
InChIInChI=1S/C18H23FN2O3/c1-9(2)13-7-11(13)5-4-6-12-8-14(22)24-18-15(12)17(23)20-16(21-18)10(3)19/h8-11,13H,4-7H2,1-3H3,(H,20,21,23)
InChIKeyYAJYNFMJZGJCFL-UHFFFAOYSA-N
XLogP3.52
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.52
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-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187398) is 2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(CCCC3CC3C(C)C)c2c(=O)[nH]1.
What is the InChIKey of 2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is YAJYNFMJZGJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-9(2)13-7-11(13)5-4-6-12-8-14(22)24-18-15(12)17(23)20-16(21-18)10(3)19/h8-11,13H,4-7H2,1-3H3,(H,20,21,23).
What are the key properties of 2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(1-fluoroethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 334.39 g/mol, XLogP of 3.52, 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-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).