6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione

C16H20N2OS — CID 106683063

IUPAC6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOc1cc(C)cc(C)c1-c1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C16H20N2OS/c1-9(2)16-17-12(8-14(20)18-16)15-11(4)6-10(3)7-13(15)19-5/h6-9H,1-5H3,(H,17,18,20)
InChIKeyJZXIKBRWZXZEEG-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.56
Rot. Bonds3

About 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione

6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106683063) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106683063
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOc1cc(C)cc(C)c1-c1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C16H20N2OS/c1-9(2)16-17-12(8-14(20)18-16)15-11(4)6-10(3)7-13(15)19-5/h6-9H,1-5H3,(H,17,18,20)
InChIKeyJZXIKBRWZXZEEG-UHFFFAOYSA-N
XLogP4.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.56
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

4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione
CID 116879602
2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520354
2-amino-2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881587
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164
2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
CID 116878216
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116878624
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457296
6-(2,3-difluorophenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106518199
2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
CID 95474593
4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole
CID 164713848

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione (CID 106683063) is 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione is COc1cc(C)cc(C)c1-c1cc(=S)nc(C(C)C)[nH]1.
What is the InChIKey of 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is JZXIKBRWZXZEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-9(2)16-17-12(8-14(20)18-16)15-11(4)6-10(3)7-13(15)19-5/h6-9H,1-5H3,(H,17,18,20).
What are the key properties of 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione?
6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 288.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106683063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).