2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide

C21H18Cl2N6O4S — CID 24936305

About 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide

2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 24936305) has the molecular formula C21H18Cl2N6O4S and a molecular weight of 521.39 g/mol. Its IUPAC name is 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 24936305
• Molecular Formula: C21H18Cl2N6O4S
• Molecular Weight: 521.39 g/mol
• Exact Mass: 520.05
• IUPAC Name: 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
• SMILES: COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3nc(C(=O)N(C)CCO)cs3)nc21
• InChI: InChI=1S/C21H18Cl2N6O4S/c1-28(6-7-30)19(32)15-10-34-21(25-15)27-20-24-9-11-8-12(16-13(22)4-3-5-14(16)23)18(31)29(33-2)17(11)26-20/h3-5,8-10,30H,6-7H2,1-2H3,(H,24,25,26,27)
• InChIKey: BKRATSHZQRCHSQ-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 122.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.39
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 24936305) is 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide is COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3nc(C(=O)N(C)CCO)cs3)nc21.

What is the InChIKey of 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is BKRATSHZQRCHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O4S/c1-28(6-7-30)19(32)15-10-34-21(25-15)27-20-24-9-11-8-12(16-13(22)4-3-5-14(16)23)18(31)29(33-2)17(11)26-20/h3-5,8-10,30H,6-7H2,1-2H3,(H,24,25,26,27).

What are the key properties of 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide?

2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 521.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24936305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).