2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one

C20H14N2O — CID 135932128

IUPAC2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C20H14N2O/c23-19-13-18(15-7-2-1-3-8-15)21-20(22-19)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,21,22,23)
InChIKeyIXZYRECATMQYCX-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.26
Rot. Bonds2

About 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one

2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135932128) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
PubChem CID135932128
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C20H14N2O/c23-19-13-18(15-7-2-1-3-8-15)21-20(22-19)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,21,22,23)
InChIKeyIXZYRECATMQYCX-UHFFFAOYSA-N
XLogP4.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one (CID 135932128) is 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is IXZYRECATMQYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-19-13-18(15-7-2-1-3-8-15)21-20(22-19)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H,21,22,23).
What are the key properties of 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one?
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 298.35 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135932128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).