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

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Related Compounds

Triamterene
CID 5546
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
6,7-Diphenylpteridine-2,4-diamine
CID 223355
4-Phenylquinazolin-2-amine
CID 267618
6,7-Bis((4-chlorophenyl)methyl)-2,4-pteridinediamine
CID 457364
2-Chloro-4-phenylquinazoline
CID 3123582
2,4,7-Triamino-6-o-tolylpteridine
CID 95122
6-(3-Methylphenyl)pteridine-2,4,7-triamine
CID 227595
6-(3-Chlorophenyl)pteridine-2,4,7-Triamine
CID 118987042
6-(Naphthalen-1-yl)pteridine-2,4,7-triamine (29)
CID 121595842
2-(4-Ethylpiperazin-1-yl)-4-phenylquinazoline
CID 9403564
4-Phenyl-2-(piperidin-1-yl)quinazoline
CID 876242

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).