6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one

C21H16Cl2N4O — CID 5327893

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C21H16Cl2N4O/c1-12-6-8-14(9-7-12)25-21-24-11-13-10-15(20(28)27(2)19(13)26-21)18-16(22)4-3-5-17(18)23/h3-11H,1-2H3,(H,24,25,26)
InChIKeyZLNBJDSAGVBJSP-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.35
Rot. Bonds3

About 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327893) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327893
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C21H16Cl2N4O/c1-12-6-8-14(9-7-12)25-21-24-11-13-10-15(20(28)27(2)19(13)26-21)18-16(22)4-3-5-17(18)23/h3-11H,1-2H3,(H,24,25,26)
InChIKeyZLNBJDSAGVBJSP-UHFFFAOYSA-N
XLogP5.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5327893) is 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZLNBJDSAGVBJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c1-12-6-8-14(9-7-12)25-21-24-11-13-10-15(20(28)27(2)19(13)26-21)18-16(22)4-3-5-17(18)23/h3-11H,1-2H3,(H,24,25,26).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 411.29 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).