4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one

C11H9Cl2N5O — CID 86578698

IUPAC4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one
SMILESCn1c(Cl)c(/N=N/c2ccc(Cl)cc2)c(N)nc1=O
InChIInChI=1S/C11H9Cl2N5O/c1-18-9(13)8(10(14)15-11(18)19)17-16-7-4-2-6(12)3-5-7/h2-5H,1H3,(H2,14,15,19)/b17-16+
InChIKeyNAMREDCNJCUOOT-WUKNDPDISA-N
MW298.13 g/mol
LogP3.08
Rot. Bonds2

About 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one

4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one (PubChem CID 86578698) has the molecular formula C11H9Cl2N5O and a molecular weight of 298.13 g/mol. Its IUPAC name is 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one
PubChem CID86578698
Molecular FormulaC11H9Cl2N5O
Molecular Weight298.13 g/mol
Exact Mass297.02
IUPAC Name4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one
SMILESCn1c(Cl)c(/N=N/c2ccc(Cl)cc2)c(N)nc1=O
InChIInChI=1S/C11H9Cl2N5O/c1-18-9(13)8(10(14)15-11(18)19)17-16-7-4-2-6(12)3-5-7/h2-5H,1H3,(H2,14,15,19)/b17-16+
InChIKeyNAMREDCNJCUOOT-WUKNDPDISA-N
XLogP3.08
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one?
The IUPAC name of 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one (CID 86578698) is 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one is Cn1c(Cl)c(/N=N/c2ccc(Cl)cc2)c(N)nc1=O.
What is the InChIKey of 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one?
The InChIKey is NAMREDCNJCUOOT-WUKNDPDISA-N. The full InChI is InChI=1S/C11H9Cl2N5O/c1-18-9(13)8(10(14)15-11(18)19)17-16-7-4-2-6(12)3-5-7/h2-5H,1H3,(H2,14,15,19)/b17-16+.
What are the key properties of 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one?
4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one has a molecular weight of 298.13 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-5-[(4-chlorophenyl)diazenyl]-1-methylpyrimidin-2-one is sourced from PubChem (CID 86578698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).