6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one

C15H12N2O2S — CID 71417074

IUPAC6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(COc2ccc3ccccc3c2)[nH]c(=S)[nH]1
InChIInChI=1S/C15H12N2O2S/c18-14-8-12(16-15(20)17-14)9-19-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H2,16,17,18,20)
InChIKeyUNGQPSASBWJPQL-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.16
Rot. Bonds3

About 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one

6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 71417074) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID71417074
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(COc2ccc3ccccc3c2)[nH]c(=S)[nH]1
InChIInChI=1S/C15H12N2O2S/c18-14-8-12(16-15(20)17-14)9-19-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H2,16,17,18,20)
InChIKeyUNGQPSASBWJPQL-UHFFFAOYSA-N
XLogP3.16
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-ethoxynaphthalene
CID 118978197
ethoxyethane;2-ethoxynaphthalene
CID 118982387
2-naphthalen-2-yloxyacetaldehyde
CID 15670594
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
2-[2-(naphthalen-2-yloxymethyl)phenyl]ethanamine
CID 115464887
2-(3-phenylpropoxy)naphthalene
CID 13432986
2-naphthalen-2-yloxyethanethioamide
CID 7454258
4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide
CID 63883286
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
2-bromo-5-(naphthalen-2-yloxymethyl)thiophene
CID 63458037

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 71417074) is 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is O=c1cc(COc2ccc3ccccc3c2)[nH]c(=S)[nH]1.
What is the InChIKey of 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is UNGQPSASBWJPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14-8-12(16-15(20)17-14)9-19-13-6-5-10-3-1-2-4-11(10)7-13/h1-8H,9H2,(H2,16,17,18,20).
What are the key properties of 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 284.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 71417074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).