5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione

C11H10N2O3S — CID 147803297

IUPAC5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Sc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H10N2O3S/c1-16-7-2-4-8(5-3-7)17-9-6-12-11(15)13-10(9)14/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyHLXZVXZVEDNNQR-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.22
Rot. Bonds3

About 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione

5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 147803297) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione
PubChem CID147803297
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Sc2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H10N2O3S/c1-16-7-2-4-8(5-3-7)17-9-6-12-11(15)13-10(9)14/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyHLXZVXZVEDNNQR-UHFFFAOYSA-N
XLogP1.22
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione
CID 21077558
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfanyl]benzonitrile
CID 118515202
3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol
CID 91408828
5-[dimethoxyphosphoryl-(4-methoxyanilino)methyl]-1H-pyrimidine-2,4-dione
CID 46894687
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1H-pyrimidine-2,4-dione
CID 11651619
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663
6-amino-5-(4-methoxyphenyl)sulfanyl-3H-1,3-benzoxazol-2-one
CID 115426028
5,8-bis[(4-methoxyphenyl)sulfanyl]phthalazine
CID 71186149
6-(4-methoxyphenyl)sulfanyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 57043018
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione (CID 147803297) is 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione is COc1ccc(Sc2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is HLXZVXZVEDNNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-7-2-4-8(5-3-7)17-9-6-12-11(15)13-10(9)14/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione?
5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 250.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 147803297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).