5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C14H8Cl2N2O2S — CID 79431640

IUPAC5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)s2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H8Cl2N2O2S/c15-8-3-1-2-7(6-8)11-13(19)17-12(18-14(11)20)9-4-5-10(16)21-9/h1-6H,(H2,17,18,19,20)
InChIKeyRAVNSXVFLFRPLO-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.18
Rot. Bonds2

About 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79431640) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79431640
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)s2)nc(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C14H8Cl2N2O2S/c15-8-3-1-2-7(6-8)11-13(19)17-12(18-14(11)20)9-4-5-10(16)21-9/h1-6H,(H2,17,18,19,20)
InChIKeyRAVNSXVFLFRPLO-UHFFFAOYSA-N
XLogP4.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 79431640) is 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Cl)s2)nc(O)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is RAVNSXVFLFRPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-8-3-1-2-7(6-8)11-13(19)17-12(18-14(11)20)9-4-5-10(16)21-9/h1-6H,(H2,17,18,19,20).
What are the key properties of 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 339.20 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79431640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).