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

C20H14Cl2N4O — CID 5327885

IUPAC2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)
InChIKeyMACKJBHSMLAAGO-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.05
Rot. Bonds3

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

2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327885) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327885
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)
InChIKeyMACKJBHSMLAAGO-UHFFFAOYSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327885) is 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MACKJBHSMLAAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25).
What are the key properties of 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 397.27 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).