2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine

C18H10Cl2N4 — CID 88869157

IUPAC2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
SMILESClc1nc(-c2ccccc2)c2nc(Cl)nc(-c3ccccc3)c2n1
InChIInChI=1S/C18H10Cl2N4/c19-17-21-13(11-7-3-1-4-8-11)15-16(24-17)14(22-18(20)23-15)12-9-5-2-6-10-12/h1-10H
InChIKeyCXQNDOURSHIBTJ-UHFFFAOYSA-N
MW353.21 g/mol
LogP5.06
Rot. Bonds2

About 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine

2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine (PubChem CID 88869157) has the molecular formula C18H10Cl2N4 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
PubChem CID88869157
Molecular FormulaC18H10Cl2N4
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
SMILESClc1nc(-c2ccccc2)c2nc(Cl)nc(-c3ccccc3)c2n1
InChIInChI=1S/C18H10Cl2N4/c19-17-21-13(11-7-3-1-4-8-11)15-16(24-17)14(22-18(20)23-15)12-9-5-2-6-10-12/h1-10H
InChIKeyCXQNDOURSHIBTJ-UHFFFAOYSA-N
XLogP5.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.21
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine?
The IUPAC name of 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine (CID 88869157) is 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine?
The canonical SMILES for 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine is Clc1nc(-c2ccccc2)c2nc(Cl)nc(-c3ccccc3)c2n1.
What is the InChIKey of 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine?
The InChIKey is CXQNDOURSHIBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N4/c19-17-21-13(11-7-3-1-4-8-11)15-16(24-17)14(22-18(20)23-15)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine?
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine has a molecular weight of 353.21 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 88869157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).