6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C24H23Cl2N5O2 — CID 5327906

IUPAC6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C24H23Cl2N5O2/c1-30(2)11-12-33-17-9-7-16(8-10-17)28-24-27-14-15-13-18(23(32)31(3)22(15)29-24)21-19(25)5-4-6-20(21)26/h4-10,13-14H,11-12H2,1-3H3,(H,27,28,29)
InChIKeyQBHJVCQCWMYGAJ-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.99
Rot. Bonds7

About 6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327906) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327906
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C24H23Cl2N5O2/c1-30(2)11-12-33-17-9-7-16(8-10-17)28-24-27-14-15-13-18(23(32)31(3)22(15)29-24)21-19(25)5-4-6-20(21)26/h4-10,13-14H,11-12H2,1-3H3,(H,27,28,29)
InChIKeyQBHJVCQCWMYGAJ-UHFFFAOYSA-N
XLogP4.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.99
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-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327906) is 6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is CN(C)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QBHJVCQCWMYGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-30(2)11-12-33-17-9-7-16(8-10-17)28-24-27-14-15-13-18(23(32)31(3)22(15)29-24)21-19(25)5-4-6-20(21)26/h4-10,13-14H,11-12H2,1-3H3,(H,27,28,29).
What are the key properties of 6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 484.39 g/mol, XLogP of 4.99, 7 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-[4-[2-(dimethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).