2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione

C15H18N2OS — CID 106520354

IUPAC2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2c(C)cc(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2OS/c1-9-5-10(2)15(11(3)6-9)12-7-14(19)17-13(16-12)8-18-4/h5-7H,8H2,1-4H3,(H,16,17,19)
InChIKeyYPPMBSIXNSSNRH-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.88
Rot. Bonds3

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

2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106520354) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
PubChem CID106520354
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2c(C)cc(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2OS/c1-9-5-10(2)15(11(3)6-9)12-7-14(19)17-13(16-12)8-18-4/h5-7H,8H2,1-4H3,(H,16,17,19)
InChIKeyYPPMBSIXNSSNRH-UHFFFAOYSA-N
XLogP3.88
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.88
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-methylphenyl)-1H-pyrimidine-4-thione
CID 106514496
2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
CID 106518568
2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514869
6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106523194
2-(methoxymethyl)-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519589
6-(5-fluoro-3-pyridinyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515818
6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106514276
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
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
6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106683063

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione (CID 106520354) is 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione is COCc1nc(=S)cc(-c2c(C)cc(C)cc2C)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is YPPMBSIXNSSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-5-10(2)15(11(3)6-9)12-7-14(19)17-13(16-12)8-18-4/h5-7H,8H2,1-4H3,(H,16,17,19).
What are the key properties of 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione?
2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione has a molecular weight of 274.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106520354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).