4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine

C20H14ClN3 — CID 16655723

IUPAC4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccc(Cl)c2)cc(-c2cccc3ccccc23)n1
InChIInChI=1S/C20H14ClN3/c21-15-8-3-7-14(11-15)18-12-19(24-20(22)23-18)17-10-4-6-13-5-1-2-9-16(13)17/h1-12H,(H2,22,23,24)
InChIKeyZLWVTEVLDWNHDD-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.20
Rot. Bonds2

About 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine

4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine (PubChem CID 16655723) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine
PubChem CID16655723
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccc(Cl)c2)cc(-c2cccc3ccccc23)n1
InChIInChI=1S/C20H14ClN3/c21-15-8-3-7-14(11-15)18-12-19(24-20(22)23-18)17-10-4-6-13-5-1-2-9-16(13)17/h1-12H,(H2,22,23,24)
InChIKeyZLWVTEVLDWNHDD-UHFFFAOYSA-N
XLogP5.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine (CID 16655723) is 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine is Nc1nc(-c2cccc(Cl)c2)cc(-c2cccc3ccccc23)n1.
What is the InChIKey of 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine?
The InChIKey is ZLWVTEVLDWNHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-15-8-3-7-14(11-15)18-12-19(24-20(22)23-18)17-10-4-6-13-5-1-2-9-16(13)17/h1-12H,(H2,22,23,24).
What are the key properties of 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine?
4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine has a molecular weight of 331.81 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine is sourced from PubChem (CID 16655723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).