6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione

C15H18N2O2S — CID 106523194

IUPAC6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2ccc(C)c(C)c2OC)[nH]1
InChIInChI=1S/C15H18N2O2S/c1-9-5-6-11(15(19-4)10(9)2)12-7-14(20)17-13(16-12)8-18-3/h5-7H,8H2,1-4H3,(H,16,17,20)
InChIKeyOZIBDOKQQJWPOV-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.58
Rot. Bonds4

About 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione

6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106523194) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106523194
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2ccc(C)c(C)c2OC)[nH]1
InChIInChI=1S/C15H18N2O2S/c1-9-5-6-11(15(19-4)10(9)2)12-7-14(20)17-13(16-12)8-18-3/h5-7H,8H2,1-4H3,(H,16,17,20)
InChIKeyOZIBDOKQQJWPOV-UHFFFAOYSA-N
XLogP3.58
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione
CID 106523143
2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514496
4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770565
2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520354
2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
CID 106518568
6-(3-ethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106519411
2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514869
6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106514276
2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106523150
2-(methoxymethyl)-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519589
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

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106523194) is 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione is COCc1nc(=S)cc(-c2ccc(C)c(C)c2OC)[nH]1.
What is the InChIKey of 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is OZIBDOKQQJWPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-5-6-11(15(19-4)10(9)2)12-7-14(20)17-13(16-12)8-18-3/h5-7H,8H2,1-4H3,(H,16,17,20).
What are the key properties of 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 290.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106523194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).