4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one

C11H10N2O3S — CID 19095636

IUPAC4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
SMILESCSc1ccccc1Oc1c(O)nc[nH]c1=O
InChIInChI=1S/C11H10N2O3S/c1-17-8-5-3-2-4-7(8)16-9-10(14)12-6-13-11(9)15/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyNTQSVMXAKGZGJI-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.99
Rot. Bonds3

About 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one

4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one (PubChem CID 19095636) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
PubChem CID19095636
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
SMILESCSc1ccccc1Oc1c(O)nc[nH]c1=O
InChIInChI=1S/C11H10N2O3S/c1-17-8-5-3-2-4-7(8)16-9-10(14)12-6-13-11(9)15/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyNTQSVMXAKGZGJI-UHFFFAOYSA-N
XLogP1.99
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one (CID 19095636) is 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one is CSc1ccccc1Oc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is NTQSVMXAKGZGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-17-8-5-3-2-4-7(8)16-9-10(14)12-6-13-11(9)15/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 250.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 19095636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).