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

C13H10Cl2N2O — CID 58075379

IUPAC2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)C(c1ccccc1)OCC2
InChIInChI=1S/C13H10Cl2N2O/c14-12-9-6-7-18-11(8-4-2-1-3-5-8)10(9)16-13(15)17-12/h1-5,11H,6-7H2
InChIKeyLETWUEUZERRNRQ-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.45
Rot. Bonds1

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

2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (PubChem CID 58075379) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
PubChem CID58075379
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)C(c1ccccc1)OCC2
InChIInChI=1S/C13H10Cl2N2O/c14-12-9-6-7-18-11(8-4-2-1-3-5-8)10(9)16-13(15)17-12/h1-5,11H,6-7H2
InChIKeyLETWUEUZERRNRQ-UHFFFAOYSA-N
XLogP3.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.45
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-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine (CID 58075379) is 2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is Clc1nc(Cl)c2c(n1)C(c1ccccc1)OCC2.
What is the InChIKey of 2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
The InChIKey is LETWUEUZERRNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-12-9-6-7-18-11(8-4-2-1-3-5-8)10(9)16-13(15)17-12/h1-5,11H,6-7H2.
What are the key properties of 2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine?
2,4-dichloro-8-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine has a molecular weight of 281.14 g/mol, XLogP of 3.45, 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-phenyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine is sourced from PubChem (CID 58075379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).