4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine

C16H11Cl2N5 — CID 3695754

IUPAC4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine
SMILESNc1ncc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+
InChIKeyUNJMNJFPEVJCQK-GHVJWSGMSA-N
MW344.21 g/mol
LogP5.45
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine

4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine (PubChem CID 3695754) has the molecular formula C16H11Cl2N5 and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine
PubChem CID3695754
Molecular FormulaC16H11Cl2N5
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine
SMILESNc1ncc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+
InChIKeyUNJMNJFPEVJCQK-GHVJWSGMSA-N
XLogP5.45
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.21
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine (CID 3695754) is 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine is Nc1ncc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine?
The InChIKey is UNJMNJFPEVJCQK-GHVJWSGMSA-N. The full InChI is InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+.
What are the key properties of 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine?
4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine has a molecular weight of 344.21 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-phenyldiazenylpyrimidin-2-amine is sourced from PubChem (CID 3695754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).