4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one

C15H12N2O2S — CID 79436382

IUPAC4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2c(O)nc(-c3ccsc3)[nH]c2=O)cc1
InChIInChI=1S/C15H12N2O2S/c1-9-2-4-10(5-3-9)12-14(18)16-13(17-15(12)19)11-6-7-20-8-11/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyWJVTWVXWXIAKSE-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.18
Rot. Bonds2

About 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one

4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one (PubChem CID 79436382) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one
PubChem CID79436382
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one
SMILESCc1ccc(-c2c(O)nc(-c3ccsc3)[nH]c2=O)cc1
InChIInChI=1S/C15H12N2O2S/c1-9-2-4-10(5-3-9)12-14(18)16-13(17-15(12)19)11-6-7-20-8-11/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyWJVTWVXWXIAKSE-UHFFFAOYSA-N
XLogP3.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553938
2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79436574
2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 10807290
4-hydroxy-5-(4-methylphenyl)-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
CID 79435826
methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate
CID 79436249
2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79437123
2-(3-bromothiophen-2-yl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115380790
2-(4-ethylphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611424
5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52693465
4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole
CID 71061934
2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941342

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one (CID 79436382) is 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one is Cc1ccc(-c2c(O)nc(-c3ccsc3)[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one?
The InChIKey is WJVTWVXWXIAKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-2-4-10(5-3-9)12-14(18)16-13(17-15(12)19)11-6-7-20-8-11/h2-8H,1H3,(H2,16,17,18,19).
What are the key properties of 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one?
4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one has a molecular weight of 284.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79436382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).