5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine

C22H16ClN3 — CID 134157188

IUPAC5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine
SMILESClc1cccc(-c2cnc(Nc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C22H16ClN3/c23-18-11-7-10-17(14-18)20-15-24-22(25-19-12-5-2-6-13-19)26-21(20)16-8-3-1-4-9-16/h1-15H,(H,24,25,26)
InChIKeyVEHAFLNPYLBOIJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP6.21
Rot. Bonds4

About 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine

5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine (PubChem CID 134157188) has the molecular formula C22H16ClN3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine
PubChem CID134157188
Molecular FormulaC22H16ClN3
Molecular Weight357.84 g/mol
Exact Mass357.10
IUPAC Name5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine
SMILESClc1cccc(-c2cnc(Nc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C22H16ClN3/c23-18-11-7-10-17(14-18)20-15-24-22(25-19-12-5-2-6-13-19)26-21(20)16-8-3-1-4-9-16/h1-15H,(H,24,25,26)
InChIKeyVEHAFLNPYLBOIJ-UHFFFAOYSA-N
XLogP6.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine (CID 134157188) is 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine is Clc1cccc(-c2cnc(Nc3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine?
The InChIKey is VEHAFLNPYLBOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3/c23-18-11-7-10-17(14-18)20-15-24-22(25-19-12-5-2-6-13-19)26-21(20)16-8-3-1-4-9-16/h1-15H,(H,24,25,26).
What are the key properties of 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine?
5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine has a molecular weight of 357.84 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N,4-diphenylpyrimidin-2-amine is sourced from PubChem (CID 134157188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).