1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one

C26H28ClN5O2S — CID 57405163

About 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one

1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one (PubChem CID 57405163) has the molecular formula C26H28ClN5O2S and a molecular weight of 510.06 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
• PubChem CID: 57405163
• Molecular Formula: C26H28ClN5O2S
• Molecular Weight: 510.06 g/mol
• Exact Mass: 509.17
• IUPAC Name: 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
• SMILES: Cc1nc(COc2cc(C)n(-c3cc(-c4nc(C(C)(C)C)ncc4C)ncc3Cl)c(=O)c2C)cs1
• InChI: InChI=1S/C26H28ClN5O2S/c1-14-10-29-25(26(5,6)7)31-23(14)20-9-21(19(27)11-28-20)32-15(2)8-22(16(3)24(32)33)34-12-18-13-35-17(4)30-18/h8-11,13H,12H2,1-7H3
• InChIKey: KPCRXSQJQFFSNM-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 82.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.06
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?

The IUPAC name of 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one (CID 57405163) is 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one.

What is the SMILES notation for 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?

The canonical SMILES for 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one is Cc1nc(COc2cc(C)n(-c3cc(-c4nc(C(C)(C)C)ncc4C)ncc3Cl)c(=O)c2C)cs1.

What is the InChIKey of 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?

The InChIKey is KPCRXSQJQFFSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2S/c1-14-10-29-25(26(5,6)7)31-23(14)20-9-21(19(27)11-28-20)32-15(2)8-22(16(3)24(32)33)34-12-18-13-35-17(4)30-18/h8-11,13H,12H2,1-7H3.

What are the key properties of 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?

1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one has a molecular weight of 510.06 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one is sourced from PubChem (CID 57405163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).