6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione

C11H10N2O3S — CID 21048644

IUPAC6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CSc2ccc(O)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C11H10N2O3S/c14-8-1-3-9(4-2-8)17-6-7-5-10(15)13-11(16)12-7/h1-5,14H,6H2,(H2,12,13,15,16)
InChIKeyRMWGIXHRICHSIR-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.06
Rot. Bonds3

About 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione

6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione (PubChem CID 21048644) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione
PubChem CID21048644
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CSc2ccc(O)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C11H10N2O3S/c14-8-1-3-9(4-2-8)17-6-7-5-10(15)13-11(16)12-7/h1-5,14H,6H2,(H2,12,13,15,16)
InChIKeyRMWGIXHRICHSIR-UHFFFAOYSA-N
XLogP1.06
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione (CID 21048644) is 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione is O=c1cc(CSc2ccc(O)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RMWGIXHRICHSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-8-1-3-9(4-2-8)17-6-7-5-10(15)13-11(16)12-7/h1-5,14H,6H2,(H2,12,13,15,16).
What are the key properties of 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione?
6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 250.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)sulfanylmethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 21048644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).