4,6-dichloro-2,5-diphenylpyrimidine

C16H10Cl2N2 — CID 4116137

IUPAC4,6-dichloro-2,5-diphenylpyrimidine
SMILESClc1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C16H10Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10H
InChIKeySYZDNTMHIDTVBR-UHFFFAOYSA-N
MW301.18 g/mol
LogP5.12
Rot. Bonds2

About 4,6-dichloro-2,5-diphenylpyrimidine

4,6-dichloro-2,5-diphenylpyrimidine (PubChem CID 4116137) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4,6-dichloro-2,5-diphenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2,5-diphenylpyrimidine
PubChem CID4116137
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name4,6-dichloro-2,5-diphenylpyrimidine
SMILESClc1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C16H10Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10H
InChIKeySYZDNTMHIDTVBR-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.18
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2,5-diphenylpyrimidine?
The IUPAC name of 4,6-dichloro-2,5-diphenylpyrimidine (CID 4116137) is 4,6-dichloro-2,5-diphenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2,5-diphenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2,5-diphenylpyrimidine is Clc1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1.
What is the InChIKey of 4,6-dichloro-2,5-diphenylpyrimidine?
The InChIKey is SYZDNTMHIDTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4,6-dichloro-2,5-diphenylpyrimidine?
4,6-dichloro-2,5-diphenylpyrimidine has a molecular weight of 301.18 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,5-diphenylpyrimidine is sourced from PubChem (CID 4116137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).