2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine

C16H9Cl3N2 — CID 171627568

IUPAC2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine
SMILESClc1ncc(Cl)c(-c2cc(-c3ccccc3)ccc2Cl)n1
InChIInChI=1S/C16H9Cl3N2/c17-13-7-6-11(10-4-2-1-3-5-10)8-12(13)15-14(18)9-20-16(19)21-15/h1-9H
InChIKeyYUCQIMHWKVWYKY-UHFFFAOYSA-N
MW335.62 g/mol
LogP5.77
Rot. Bonds2

About 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine

2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine (PubChem CID 171627568) has the molecular formula C16H9Cl3N2 and a molecular weight of 335.62 g/mol. Its IUPAC name is 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine
PubChem CID171627568
Molecular FormulaC16H9Cl3N2
Molecular Weight335.62 g/mol
Exact Mass333.98
IUPAC Name2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine
SMILESClc1ncc(Cl)c(-c2cc(-c3ccccc3)ccc2Cl)n1
InChIInChI=1S/C16H9Cl3N2/c17-13-7-6-11(10-4-2-1-3-5-10)8-12(13)15-14(18)9-20-16(19)21-15/h1-9H
InChIKeyYUCQIMHWKVWYKY-UHFFFAOYSA-N
XLogP5.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine (CID 171627568) is 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine is Clc1ncc(Cl)c(-c2cc(-c3ccccc3)ccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine?
The InChIKey is YUCQIMHWKVWYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2/c17-13-7-6-11(10-4-2-1-3-5-10)8-12(13)15-14(18)9-20-16(19)21-15/h1-9H.
What are the key properties of 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine?
2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine has a molecular weight of 335.62 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2-chloro-5-phenylphenyl)pyrimidine is sourced from PubChem (CID 171627568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).