5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione

C12H12N2O3S — CID 21077558

IUPAC5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(CSc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-9-4-2-8(3-5-9)7-18-10-6-13-12(16)14-11(10)15/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeySZOVUZHCCBMJHM-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.36
Rot. Bonds4

About 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione

5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione (PubChem CID 21077558) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione
PubChem CID21077558
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(CSc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-9-4-2-8(3-5-9)7-18-10-6-13-12(16)14-11(10)15/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeySZOVUZHCCBMJHM-UHFFFAOYSA-N
XLogP1.36
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione
CID 147803297
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663
4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136685789
4-benzylsulfanyl-6-[(4-methoxyphenyl)methylsulfanyl]-1H-1,3,5-triazin-2-one
CID 54768946
1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 130378500
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027
1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 144942849
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43817501

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione (CID 21077558) is 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione is COc1ccc(CSc2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SZOVUZHCCBMJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-9-4-2-8(3-5-9)7-18-10-6-13-12(16)14-11(10)15/h2-6H,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione?
5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione has a molecular weight of 264.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 21077558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).