2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione

C16H14N2OS — CID 106514869

IUPAC2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C16H14N2OS/c1-19-10-15-17-14(9-16(20)18-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,10H2,1H3,(H,17,18,20)
InChIKeyBGBXUBMSNXYKJS-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.11
Rot. Bonds3

About 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione

2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione (PubChem CID 106514869) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
PubChem CID106514869
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C16H14N2OS/c1-19-10-15-17-14(9-16(20)18-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,10H2,1H3,(H,17,18,20)
InChIKeyBGBXUBMSNXYKJS-UHFFFAOYSA-N
XLogP4.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519589
6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106514276
6-(3-ethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106519411
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515269
2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514496
2-(methoxymethyl)-6-(3-nitrophenyl)-1H-pyrimidine-4-thione
CID 106515751
2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
CID 106518568
2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520354
6-(5-fluoro-3-pyridinyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515818
2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
CID 155705148
6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106523194
2-ethyl-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519576

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione (CID 106514869) is 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione is COCc1nc(=S)cc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione?
The InChIKey is BGBXUBMSNXYKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-10-15-17-14(9-16(20)18-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,10H2,1H3,(H,17,18,20).
What are the key properties of 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione?
2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione has a molecular weight of 282.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106514869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).