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

C24H23Cl2N5O2 — CID 5327905

IUPAC6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNCCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C24H23Cl2N5O2/c1-3-27-11-12-33-17-9-7-16(8-10-17)29-24-28-14-15-13-18(23(32)31(2)22(15)30-24)21-19(25)5-4-6-20(21)26/h4-10,13-14,27H,3,11-12H2,1-2H3,(H,28,29,30)
InChIKeyHNDIVAFUXDXTDZ-UHFFFAOYSA-N
MW484.39 g/mol
LogP5.03
Rot. Bonds8

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

6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327905) 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-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327905
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNCCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C24H23Cl2N5O2/c1-3-27-11-12-33-17-9-7-16(8-10-17)29-24-28-14-15-13-18(23(32)31(2)22(15)30-24)21-19(25)5-4-6-20(21)26/h4-10,13-14,27H,3,11-12H2,1-2H3,(H,28,29,30)
InChIKeyHNDIVAFUXDXTDZ-UHFFFAOYSA-N
XLogP5.03
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327905) is 6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is CCNCCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HNDIVAFUXDXTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-3-27-11-12-33-17-9-7-16(8-10-17)29-24-28-14-15-13-18(23(32)31(2)22(15)30-24)21-19(25)5-4-6-20(21)26/h4-10,13-14,27H,3,11-12H2,1-2H3,(H,28,29,30).
What are the key properties of 6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 484.39 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-[4-[2-(ethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).