2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine

C13H9Cl2FN2O — CID 58075481

IUPAC2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESFc1ccc(C2OCCc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C13H9Cl2FN2O/c14-12-9-5-6-19-11(10(9)17-13(15)18-12)7-1-3-8(16)4-2-7/h1-4,11H,5-6H2
InChIKeyYQKWJOPZSYTEGH-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.58
Rot. Bonds1

About 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine

2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (PubChem CID 58075481) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
PubChem CID58075481
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESFc1ccc(C2OCCc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C13H9Cl2FN2O/c14-12-9-5-6-19-11(10(9)17-13(15)18-12)7-1-3-8(16)4-2-7/h1-4,11H,5-6H2
InChIKeyYQKWJOPZSYTEGH-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (CID 58075481) is 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is Fc1ccc(C2OCCc3c(Cl)nc(Cl)nc32)cc1.
What is the InChIKey of 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The InChIKey is YQKWJOPZSYTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-12-9-5-6-19-11(10(9)17-13(15)18-12)7-1-3-8(16)4-2-7/h1-4,11H,5-6H2.
What are the key properties of 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine has a molecular weight of 299.13 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is sourced from PubChem (CID 58075481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).