4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

C27H28N4O3 — CID 67777479

About 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67777479) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
• PubChem CID: 67777479
• Molecular Formula: C27H28N4O3
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.22
• IUPAC Name: 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
• SMILES: COc1cccc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2C)c1
• InChI: InChI=1S/C27H28N4O3/c1-17(2)26-29-12-10-23(30-26)24-15-21(9-11-28-24)31-18(3)13-25(19(4)27(31)32)34-16-20-7-6-8-22(14-20)33-5/h6-15,17H,16H2,1-5H3
• InChIKey: DNYWGBUTTNKHNX-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 79.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?

The IUPAC name of 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67777479) is 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

What is the SMILES notation for 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?

The canonical SMILES for 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is COc1cccc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2C)c1.

What is the InChIKey of 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?

The InChIKey is DNYWGBUTTNKHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-17(2)26-29-12-10-23(30-26)24-15-21(9-11-28-24)31-18(3)13-25(19(4)27(31)32)34-16-20-7-6-8-22(14-20)33-5/h6-15,17H,16H2,1-5H3.

What are the key properties of 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?

4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 456.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-methoxyphenyl)methoxy]-3,6-dimethyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67777479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).