4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one

C11H10N2O2S — CID 114581057

IUPAC4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Sc2ccccc2O)cc(=O)[nH]1
InChIInChI=1S/C11H10N2O2S/c1-7-12-10(15)6-11(13-7)16-9-5-3-2-4-8(9)14/h2-6,14H,1H3,(H,12,13,15)
InChIKeyCHHXBEPTUAHHRN-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.94
Rot. Bonds2

About 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one

4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one (PubChem CID 114581057) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
PubChem CID114581057
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Sc2ccccc2O)cc(=O)[nH]1
InChIInChI=1S/C11H10N2O2S/c1-7-12-10(15)6-11(13-7)16-9-5-3-2-4-8(9)14/h2-6,14H,1H3,(H,12,13,15)
InChIKeyCHHXBEPTUAHHRN-UHFFFAOYSA-N
XLogP1.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyphenyl)sulfanyl-1H-pyrimidin-6-one
CID 114581051
methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate
CID 66287136
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]thiophene-2-carboxylic acid
CID 114574123
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]acetic acid
CID 114573962
4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114580959
4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-methyl-1H-pyrimidin-6-one
CID 114585563
benzene-1,3,5-triol;tris(2,4-dimethyl-1H-pyrimidin-6-one)
CID 139064568
2-(2-hydroxyphenyl)sulfanyl-3-methylnaphthalene-1,4-dione
CID 102099978
2-(3-methylquinoxalin-2-yl)sulfanylphenol
CID 55067487
4-ethyl-2-methyl-1H-pyrimidin-6-one;propane
CID 171619241
2-methyl-5-pyridin-2-ylsulfanyl-3H-quinazolin-4-one
CID 135438181
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one (CID 114581057) is 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one is Cc1nc(Sc2ccccc2O)cc(=O)[nH]1.
What is the InChIKey of 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CHHXBEPTUAHHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-12-10(15)6-11(13-7)16-9-5-3-2-4-8(9)14/h2-6,14H,1H3,(H,12,13,15).
What are the key properties of 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one?
4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one has a molecular weight of 234.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114581057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).