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

C12H10Cl2N2O2 — CID 80663741

IUPAC2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(Cl)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H10Cl2N2O2/c1-6(13)10-15-11(17)9(12(18)16-10)7-4-2-3-5-8(7)14/h2-6H,1H3,(H2,15,16,17,18)
InChIKeyHMBDQOAGLGVRAZ-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.10
Rot. Bonds2

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

2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80663741) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80663741
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(Cl)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C12H10Cl2N2O2/c1-6(13)10-15-11(17)9(12(18)16-10)7-4-2-3-5-8(7)14/h2-6H,1H3,(H2,15,16,17,18)
InChIKeyHMBDQOAGLGVRAZ-UHFFFAOYSA-N
XLogP3.10
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 80663741) is 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CC(Cl)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HMBDQOAGLGVRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-6(13)10-15-11(17)9(12(18)16-10)7-4-2-3-5-8(7)14/h2-6H,1H3,(H2,15,16,17,18).
What are the key properties of 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 285.13 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80663741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).