5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one

C15H12N2O2 — CID 136691786

IUPAC5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
SMILESCOc1c(-c2cccc3ccccc23)nc[nH]c1=O
InChIInChI=1S/C15H12N2O2/c1-19-14-13(16-9-17-15(14)18)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,16,17,18)
InChIKeyLOTPKPBQDFEDCA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds2

About 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one

5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one (PubChem CID 136691786) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
PubChem CID136691786
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
SMILESCOc1c(-c2cccc3ccccc23)nc[nH]c1=O
InChIInChI=1S/C15H12N2O2/c1-19-14-13(16-9-17-15(14)18)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,16,17,18)
InChIKeyLOTPKPBQDFEDCA-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692382
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
4-(4-tert-butylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136692477
4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
CID 136955551
5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691696
2,5-dimethyl-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691790
4-(5-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136769687
4-methoxy-5-naphthalen-1-yl-1H-pyridazin-6-one
CID 70307733

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one (CID 136691786) is 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one is COc1c(-c2cccc3ccccc23)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one?
The InChIKey is LOTPKPBQDFEDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-14-13(16-9-17-15(14)18)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,16,17,18).
What are the key properties of 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one?
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one has a molecular weight of 252.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).