6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one

C17H12Cl2N2O2 — CID 135589888

IUPAC6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(-c3cccc(Cl)c3Cl)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C17H12Cl2N2O2/c1-9-7-10(5-6-15(9)22)13-8-14(21-17(23)20-13)11-3-2-4-12(18)16(11)19/h2-8,22H,1H3,(H,20,21,23)
InChIKeyYADQAFIQIZSZMH-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.42
Rot. Bonds2

About 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one

6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one (PubChem CID 135589888) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one
PubChem CID135589888
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(-c3cccc(Cl)c3Cl)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C17H12Cl2N2O2/c1-9-7-10(5-6-15(9)22)13-8-14(21-17(23)20-13)11-3-2-4-12(18)16(11)19/h2-8,22H,1H3,(H,20,21,23)
InChIKeyYADQAFIQIZSZMH-UHFFFAOYSA-N
XLogP4.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one (CID 135589888) is 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one is Cc1cc(-c2cc(-c3cccc(Cl)c3Cl)[nH]c(=O)n2)ccc1O.
What is the InChIKey of 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one?
The InChIKey is YADQAFIQIZSZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-9-7-10(5-6-15(9)22)13-8-14(21-17(23)20-13)11-3-2-4-12(18)16(11)19/h2-8,22H,1H3,(H,20,21,23).
What are the key properties of 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one?
6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one has a molecular weight of 347.20 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 135589888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).