2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one

C13H10Cl2N4O — CID 70165154

IUPAC2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one
SMILESCn1c2c(nc(-c3ccccc3Cl)c1=O)CN=C(Cl)N2
InChIInChI=1S/C13H10Cl2N4O/c1-19-11-9(6-16-13(15)18-11)17-10(12(19)20)7-4-2-3-5-8(7)14/h2-5H,6H2,1H3,(H,16,18)
InChIKeyNARWLTFBSUQEBI-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.62
Rot. Bonds1

About 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one

2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one (PubChem CID 70165154) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one.

Molecular Properties

Compound Name2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one
PubChem CID70165154
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one
SMILESCn1c2c(nc(-c3ccccc3Cl)c1=O)CN=C(Cl)N2
InChIInChI=1S/C13H10Cl2N4O/c1-19-11-9(6-16-13(15)18-11)17-10(12(19)20)7-4-2-3-5-8(7)14/h2-5H,6H2,1H3,(H,16,18)
InChIKeyNARWLTFBSUQEBI-UHFFFAOYSA-N
XLogP2.62
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one?
The IUPAC name of 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one (CID 70165154) is 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one.
What is the SMILES notation for 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one?
The canonical SMILES for 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one is Cn1c2c(nc(-c3ccccc3Cl)c1=O)CN=C(Cl)N2.
What is the InChIKey of 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one?
The InChIKey is NARWLTFBSUQEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-19-11-9(6-16-13(15)18-11)17-10(12(19)20)7-4-2-3-5-8(7)14/h2-5H,6H2,1H3,(H,16,18).
What are the key properties of 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one?
2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one has a molecular weight of 309.16 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chlorophenyl)-8-methyl-1,4-dihydropteridin-7-one is sourced from PubChem (CID 70165154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).