6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione

C18H16N2O4S — CID 135657522

IUPAC6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)ncc2Oc2ccccc2OC)c(O)c1
InChIInChI=1S/C18H16N2O4S/c1-22-11-7-8-12(13(21)9-11)17-16(10-19-18(25)20-17)24-15-6-4-3-5-14(15)23-2/h3-10,21H,1-2H3,(H,19,20,25)
InChIKeyVAEWEHUXYMQDEB-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.32
Rot. Bonds5

About 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione

6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione (PubChem CID 135657522) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione
PubChem CID135657522
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)ncc2Oc2ccccc2OC)c(O)c1
InChIInChI=1S/C18H16N2O4S/c1-22-11-7-8-12(13(21)9-11)17-16(10-19-18(25)20-17)24-15-6-4-3-5-14(15)23-2/h3-10,21H,1-2H3,(H,19,20,25)
InChIKeyVAEWEHUXYMQDEB-UHFFFAOYSA-N
XLogP4.32
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328
5-methoxy-2-[4-(2-propan-2-ylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135840464
2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenol
CID 665714
2-[4-(4-tert-butylphenoxy)-1H-pyrazol-5-yl]-5-methoxyphenol
CID 135594217
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol
CID 135651332
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
6-(2-methoxyphenoxy)pyridin-3-ol
CID 91903152
6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 106520926
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione (CID 135657522) is 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione is COc1ccc(-c2[nH]c(=S)ncc2Oc2ccccc2OC)c(O)c1.
What is the InChIKey of 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione?
The InChIKey is VAEWEHUXYMQDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-22-11-7-8-12(13(21)9-11)17-16(10-19-18(25)20-17)24-15-6-4-3-5-14(15)23-2/h3-10,21H,1-2H3,(H,19,20,25).
What are the key properties of 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione?
6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione has a molecular weight of 356.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-4-methoxyphenyl)-5-(2-methoxyphenoxy)-1H-pyrimidine-2-thione is sourced from PubChem (CID 135657522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).