6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one

C22H18Cl2N4O3 — CID 5327900

IUPAC6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc(OC)c1
InChIInChI=1S/C22H18Cl2N4O3/c1-28-20-12(7-16(21(28)29)19-17(23)5-4-6-18(19)24)11-25-22(27-20)26-13-8-14(30-2)10-15(9-13)31-3/h4-11H,1-3H3,(H,25,26,27)
InChIKeyRYCIKEDAOOTILW-UHFFFAOYSA-N
MW457.32 g/mol
LogP5.06
Rot. Bonds5

About 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327900) has the molecular formula C22H18Cl2N4O3 and a molecular weight of 457.32 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327900
Molecular FormulaC22H18Cl2N4O3
Molecular Weight457.32 g/mol
Exact Mass456.08
IUPAC Name6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc(OC)c1
InChIInChI=1S/C22H18Cl2N4O3/c1-28-20-12(7-16(21(28)29)19-17(23)5-4-6-18(19)24)11-25-22(27-20)26-13-8-14(30-2)10-15(9-13)31-3/h4-11H,1-3H3,(H,25,26,27)
InChIKeyRYCIKEDAOOTILW-UHFFFAOYSA-N
XLogP5.06
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.32
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327900) is 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one is COc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc(OC)c1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RYCIKEDAOOTILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3/c1-28-20-12(7-16(21(28)29)19-17(23)5-4-6-18(19)24)11-25-22(27-20)26-13-8-14(30-2)10-15(9-13)31-3/h4-11H,1-3H3,(H,25,26,27).
What are the key properties of 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 457.32 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-(3,5-dimethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).