5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one

C19H24Cl2N2O2 — CID 44513470

IUPAC5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
SMILESCCCCCCC(C)(C)c1nc(O)c(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C19H24Cl2N2O2/c1-4-5-6-7-8-19(2,3)18-22-16(24)15(17(25)23-18)12-9-13(20)11-14(21)10-12/h9-11H,4-8H2,1-3H3,(H2,22,23,24,25)
InChIKeyFGOXXIFUQLRBAF-UHFFFAOYSA-N
MW383.32 g/mol
LogP5.70
Rot. Bonds7

About 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one

5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one (PubChem CID 44513470) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
PubChem CID44513470
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC Name5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
SMILESCCCCCCC(C)(C)c1nc(O)c(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C19H24Cl2N2O2/c1-4-5-6-7-8-19(2,3)18-22-16(24)15(17(25)23-18)12-9-13(20)11-14(21)10-12/h9-11H,4-8H2,1-3H3,(H2,22,23,24,25)
InChIKeyFGOXXIFUQLRBAF-UHFFFAOYSA-N
XLogP5.70
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one (CID 44513470) is 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one is CCCCCCC(C)(C)c1nc(O)c(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FGOXXIFUQLRBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2/c1-4-5-6-7-8-19(2,3)18-22-16(24)15(17(25)23-18)12-9-13(20)11-14(21)10-12/h9-11H,4-8H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 383.32 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 44513470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).