4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine

C18H10Cl4N2 — CID 5373789

IUPAC4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine
SMILESClc1ccc(/C=C/c2nc(Cl)c(-c3ccc(Cl)cc3)c(Cl)n2)cc1
InChIInChI=1S/C18H10Cl4N2/c19-13-6-1-11(2-7-13)3-10-15-23-17(21)16(18(22)24-15)12-4-8-14(20)9-5-12/h1-10H/b10-3+
InChIKeyKPQDGYRDIJDARD-XCVCLJGOSA-N
MW396.10 g/mol
LogP6.93
Rot. Bonds3

About 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine

4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine (PubChem CID 5373789) has the molecular formula C18H10Cl4N2 and a molecular weight of 396.10 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine
PubChem CID5373789
Molecular FormulaC18H10Cl4N2
Molecular Weight396.10 g/mol
Exact Mass393.96
IUPAC Name4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine
SMILESClc1ccc(/C=C/c2nc(Cl)c(-c3ccc(Cl)cc3)c(Cl)n2)cc1
InChIInChI=1S/C18H10Cl4N2/c19-13-6-1-11(2-7-13)3-10-15-23-17(21)16(18(22)24-15)12-4-8-14(20)9-5-12/h1-10H/b10-3+
InChIKeyKPQDGYRDIJDARD-XCVCLJGOSA-N
XLogP6.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.10
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine (CID 5373789) is 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine is Clc1ccc(/C=C/c2nc(Cl)c(-c3ccc(Cl)cc3)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine?
The InChIKey is KPQDGYRDIJDARD-XCVCLJGOSA-N. The full InChI is InChI=1S/C18H10Cl4N2/c19-13-6-1-11(2-7-13)3-10-15-23-17(21)16(18(22)24-15)12-4-8-14(20)9-5-12/h1-10H/b10-3+.
What are the key properties of 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine?
4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine has a molecular weight of 396.10 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-chlorophenyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidine is sourced from PubChem (CID 5373789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).