4-naphthalen-2-yl-6-phenylpyrimidin-2-amine

C20H15N3 — CID 144648669

IUPAC4-naphthalen-2-yl-6-phenylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H15N3/c21-20-22-18(15-7-2-1-3-8-15)13-19(23-20)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)
InChIKeyOCABEFXPTCPVNL-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.55
Rot. Bonds2

About 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine

4-naphthalen-2-yl-6-phenylpyrimidin-2-amine (PubChem CID 144648669) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-6-phenylpyrimidin-2-amine
PubChem CID144648669
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name4-naphthalen-2-yl-6-phenylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H15N3/c21-20-22-18(15-7-2-1-3-8-15)13-19(23-20)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)
InChIKeyOCABEFXPTCPVNL-UHFFFAOYSA-N
XLogP4.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine (CID 144648669) is 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine is Nc1nc(-c2ccccc2)cc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine?
The InChIKey is OCABEFXPTCPVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c21-20-22-18(15-7-2-1-3-8-15)13-19(23-20)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23).
What are the key properties of 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine?
4-naphthalen-2-yl-6-phenylpyrimidin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 144648669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).