2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine

C12H7Cl2FN2O — CID 58075496

IUPAC2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESFc1ccc(C2OCc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C12H7Cl2FN2O/c13-11-8-5-18-10(9(8)16-12(14)17-11)6-1-3-7(15)4-2-6/h1-4,10H,5H2
InChIKeyCADDFIZYZPQIRT-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.54
Rot. Bonds1

About 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine

2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine (PubChem CID 58075496) has the molecular formula C12H7Cl2FN2O and a molecular weight of 285.11 g/mol. Its IUPAC name is 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
PubChem CID58075496
Molecular FormulaC12H7Cl2FN2O
Molecular Weight285.11 g/mol
Exact Mass283.99
IUPAC Name2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESFc1ccc(C2OCc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C12H7Cl2FN2O/c13-11-8-5-18-10(9(8)16-12(14)17-11)6-1-3-7(15)4-2-6/h1-4,10H,5H2
InChIKeyCADDFIZYZPQIRT-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine (CID 58075496) is 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine is Fc1ccc(C2OCc3c(Cl)nc(Cl)nc32)cc1.
What is the InChIKey of 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine?
The InChIKey is CADDFIZYZPQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O/c13-11-8-5-18-10(9(8)16-12(14)17-11)6-1-3-7(15)4-2-6/h1-4,10H,5H2.
What are the key properties of 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine?
2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine has a molecular weight of 285.11 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(4-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidine is sourced from PubChem (CID 58075496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).