2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione

C13H14N2OS — CID 106514496

IUPAC2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2ccccc2C)[nH]1
InChIInChI=1S/C13H14N2OS/c1-9-5-3-4-6-10(9)11-7-13(17)15-12(14-11)8-16-2/h3-7H,8H2,1-2H3,(H,14,15,17)
InChIKeyWUQNTCRUOHXKLS-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.26
Rot. Bonds3

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

2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106514496) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione
PubChem CID106514496
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2ccccc2C)[nH]1
InChIInChI=1S/C13H14N2OS/c1-9-5-3-4-6-10(9)11-7-13(17)15-12(14-11)8-16-2/h3-7H,8H2,1-2H3,(H,14,15,17)
InChIKeyWUQNTCRUOHXKLS-UHFFFAOYSA-N
XLogP3.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.26
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

6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106523194
2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520354
2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514869
2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
CID 106518568
6-(3-ethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106519411
6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106514276
2-(methoxymethyl)-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519589
2-(methoxymethyl)-6-(3-nitrophenyl)-1H-pyrimidine-4-thione
CID 106515751
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515269
6-(5-fluoro-3-pyridinyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515818
2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106518420
6-(2,3-dichlorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514071

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione (CID 106514496) is 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione is COCc1nc(=S)cc(-c2ccccc2C)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is WUQNTCRUOHXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-5-3-4-6-10(9)11-7-13(17)15-12(14-11)8-16-2/h3-7H,8H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione?
2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione has a molecular weight of 246.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106514496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).