5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine

C16H11Cl2N3 — CID 134143946

IUPAC5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine
SMILESNc1ncc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H11Cl2N3/c17-13-7-6-11(8-14(13)18)12-9-20-16(19)21-15(12)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21)
InChIKeyQYQMTGWQMGFXJR-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.70
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine

5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine (PubChem CID 134143946) has the molecular formula C16H11Cl2N3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine
PubChem CID134143946
Molecular FormulaC16H11Cl2N3
Molecular Weight316.19 g/mol
Exact Mass315.03
IUPAC Name5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine
SMILESNc1ncc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H11Cl2N3/c17-13-7-6-11(8-14(13)18)12-9-20-16(19)21-15(12)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21)
InChIKeyQYQMTGWQMGFXJR-UHFFFAOYSA-N
XLogP4.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine (CID 134143946) is 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine is Nc1ncc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine?
The InChIKey is QYQMTGWQMGFXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3/c17-13-7-6-11(8-14(13)18)12-9-20-16(19)21-15(12)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21).
What are the key properties of 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine?
5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine has a molecular weight of 316.19 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 134143946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).