6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one

C21H16Cl2N4O2 — CID 5327895

IUPAC6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
InChIInChI=1S/C21H16Cl2N4O2/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
InChIKeyIDCFPJHKTOPZHU-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.05
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327895) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327895
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC Name6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
InChIInChI=1S/C21H16Cl2N4O2/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
InChIKeyIDCFPJHKTOPZHU-UHFFFAOYSA-N
XLogP5.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327895) is 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one is COc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IDCFPJHKTOPZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26).
What are the key properties of 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 427.29 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).