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

C20H14ClN3 — CID 16655806

IUPAC4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2cccc3ccccc23)n1
InChIInChI=1S/C20H14ClN3/c21-15-10-8-14(9-11-15)18-12-19(24-20(22)23-18)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H2,22,23,24)
InChIKeyCPBGMSXRYKGITP-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.20
Rot. Bonds2

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

4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine (PubChem CID 16655806) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine
PubChem CID16655806
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)cc(-c2cccc3ccccc23)n1
InChIInChI=1S/C20H14ClN3/c21-15-10-8-14(9-11-15)18-12-19(24-20(22)23-18)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H2,22,23,24)
InChIKeyCPBGMSXRYKGITP-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-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine (CID 16655806) is 4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine is Nc1nc(-c2ccc(Cl)cc2)cc(-c2cccc3ccccc23)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine?
The InChIKey is CPBGMSXRYKGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-15-10-8-14(9-11-15)18-12-19(24-20(22)23-18)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H2,22,23,24).
What are the key properties of 4-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine?
4-(4-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-(4-chlorophenyl)-6-naphthalen-1-ylpyrimidin-2-amine is sourced from PubChem (CID 16655806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).