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

C21H20Cl2N6O4S — CID 67334753

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

2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-2H-1,3-thiazole-3-carboxamide (PubChem CID 67334753) has the molecular formula C21H20Cl2N6O4S and a molecular weight of 523.40 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-2H-1,3-thiazole-3-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-2H-1,3-thiazole-3-carboxamide
• PubChem CID: 67334753
• Molecular Formula: C21H20Cl2N6O4S
• Molecular Weight: 523.40 g/mol
• Exact Mass: 522.06
• IUPAC Name: 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-2H-1,3-thiazole-3-carboxamide
• SMILES: COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NC3SC=CN3C(=O)N(C)CCO)nc21
• InChI: InChI=1S/C21H20Cl2N6O4S/c1-27(6-8-30)21(32)28-7-9-34-20(28)26-19-24-11-12-10-13(16-14(22)4-3-5-15(16)23)18(31)29(33-2)17(12)25-19/h3-5,7,9-11,20,30H,6,8H2,1-2H3,(H,24,25,26)
• InChIKey: MICXVIYBUMWMQS-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 112.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.40
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-2H-1,3-thiazole-3-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-2H-1,3-thiazole-3-carboxamide (CID 67334753) is 2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-2H-1,3-thiazole-3-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-2H-1,3-thiazole-3-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-2H-1,3-thiazole-3-carboxamide is COn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NC3SC=CN3C(=O)N(C)CCO)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-2H-1,3-thiazole-3-carboxamide?

The InChIKey is MICXVIYBUMWMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N6O4S/c1-27(6-8-30)21(32)28-7-9-34-20(28)26-19-24-11-12-10-13(16-14(22)4-3-5-15(16)23)18(31)29(33-2)17(12)25-19/h3-5,7,9-11,20,30H,6,8H2,1-2H3,(H,24,25,26).

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-2H-1,3-thiazole-3-carboxamide?

2-[[6-(2,6-dichlorophenyl)-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-N-methyl-2H-1,3-thiazole-3-carboxamide has a molecular weight of 523.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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-2H-1,3-thiazole-3-carboxamide is sourced from PubChem (CID 67334753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).