2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine

C27H21N3 — CID 90278205

IUPAC2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine
SMILESCc1ccccc1-c1nc(Nc2ccc3ccccc3c2)cc(-c2ccccc2)n1
InChIInChI=1S/C27H21N3/c1-19-9-5-8-14-24(19)27-29-25(21-11-3-2-4-12-21)18-26(30-27)28-23-16-15-20-10-6-7-13-22(20)17-23/h2-18H,1H3,(H,28,29,30)
InChIKeyQTMCFICEDAGGBY-UHFFFAOYSA-N
MW387.49 g/mol
LogP7.02
Rot. Bonds4

About 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine

2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine (PubChem CID 90278205) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine
PubChem CID90278205
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine
SMILESCc1ccccc1-c1nc(Nc2ccc3ccccc3c2)cc(-c2ccccc2)n1
InChIInChI=1S/C27H21N3/c1-19-9-5-8-14-24(19)27-29-25(21-11-3-2-4-12-21)18-26(30-27)28-23-16-15-20-10-6-7-13-22(20)17-23/h2-18H,1H3,(H,28,29,30)
InChIKeyQTMCFICEDAGGBY-UHFFFAOYSA-N
XLogP7.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine (CID 90278205) is 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine is Cc1ccccc1-c1nc(Nc2ccc3ccccc3c2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine?
The InChIKey is QTMCFICEDAGGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-19-9-5-8-14-24(19)27-29-25(21-11-3-2-4-12-21)18-26(30-27)28-23-16-15-20-10-6-7-13-22(20)17-23/h2-18H,1H3,(H,28,29,30).
What are the key properties of 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine?
2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine has a molecular weight of 387.49 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-naphthalen-2-yl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 90278205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).