2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one

C27H31N5O2 — CID 5328650

IUPAC2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1
InChIInChI=1S/C27H31N5O2/c1-4-31(5-2)16-17-34-23-14-12-22(13-15-23)29-27-28-19-21-18-24(20-10-8-7-9-11-20)26(33)32(6-3)25(21)30-27/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,28,29,30)
InChIKeyCUAUTGRQMYJPFC-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.94
Rot. Bonds10

About 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one

2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328650) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328650
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1
InChIInChI=1S/C27H31N5O2/c1-4-31(5-2)16-17-34-23-14-12-22(13-15-23)29-27-28-19-21-18-24(20-10-8-7-9-11-20)26(33)32(6-3)25(21)30-27/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,28,29,30)
InChIKeyCUAUTGRQMYJPFC-UHFFFAOYSA-N
XLogP4.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one (CID 5328650) is 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CUAUTGRQMYJPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-4-31(5-2)16-17-34-23-14-12-22(13-15-23)29-27-28-19-21-18-24(20-10-8-7-9-11-20)26(33)32(6-3)25(21)30-27/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,28,29,30).
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 457.58 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).