6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one

C27H31N5O2 — CID 162651633

IUPAC6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCCN(CCNC)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12
InChIInChI=1S/C27H31N5O2/c1-5-31(10-9-28-4)16-24-23(20-12-18(2)11-19(3)13-20)15-29-26-25(24)27(34)32(17-30-26)21-7-6-8-22(33)14-21/h6-8,11-15,17,28,33H,5,9-10,16H2,1-4H3
InChIKeyOVIFVLVJLJPJEZ-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.81
Rot. Bonds8

About 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one

6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 162651633) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID162651633
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCCN(CCNC)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12
InChIInChI=1S/C27H31N5O2/c1-5-31(10-9-28-4)16-24-23(20-12-18(2)11-19(3)13-20)15-29-26-25(24)27(34)32(17-30-26)21-7-6-8-22(33)14-21/h6-8,11-15,17,28,33H,5,9-10,16H2,1-4H3
InChIKeyOVIFVLVJLJPJEZ-UHFFFAOYSA-N
XLogP3.81
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-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 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one (CID 162651633) is 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one is CCN(CCNC)Cc1c(-c2cc(C)cc(C)c2)cnc2ncn(-c3cccc(O)c3)c(=O)c12.
What is the InChIKey of 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OVIFVLVJLJPJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-5-31(10-9-28-4)16-24-23(20-12-18(2)11-19(3)13-20)15-29-26-25(24)27(34)32(17-30-26)21-7-6-8-22(33)14-21/h6-8,11-15,17,28,33H,5,9-10,16H2,1-4H3.
What are the key properties of 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 457.58 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-5-[[ethyl-[2-(methylamino)ethyl]amino]methyl]-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162651633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).