5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione

C13H14N2O2S — CID 106518594

IUPAC5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione
SMILESCOc1ccc(-c2[nH]cnc(=S)c2OC)c(C)c1
InChIInChI=1S/C13H14N2O2S/c1-8-6-9(16-2)4-5-10(8)11-12(17-3)13(18)15-7-14-11/h4-7H,1-3H3,(H,14,15,18)
InChIKeyBJBMPYBCZFEYHI-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.13
Rot. Bonds3

About 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione

5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106518594) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione
PubChem CID106518594
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione
SMILESCOc1ccc(-c2[nH]cnc(=S)c2OC)c(C)c1
InChIInChI=1S/C13H14N2O2S/c1-8-6-9(16-2)4-5-10(8)11-12(17-3)13(18)15-7-14-11/h4-7H,1-3H3,(H,14,15,18)
InChIKeyBJBMPYBCZFEYHI-UHFFFAOYSA-N
XLogP3.13
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.13
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

5-methoxy-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769335
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521547
6-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106516821
6-(2-cyclobutylphenyl)-5-methoxy-1H-pyrimidine-4-thione
CID 106522327
5-methoxy-6-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106514628
5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione
CID 114055039
5-methyl-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514473
5-methoxy-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520720
3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine
CID 65318561
5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 22248987
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione (CID 106518594) is 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione is COc1ccc(-c2[nH]cnc(=S)c2OC)c(C)c1.
What is the InChIKey of 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is BJBMPYBCZFEYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-6-9(16-2)4-5-10(8)11-12(17-3)13(18)15-7-14-11/h4-7H,1-3H3,(H,14,15,18).
What are the key properties of 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione?
5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione has a molecular weight of 262.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106518594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).