1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one

C26H30N4O3 — CID 127251522

About 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one

1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 127251522) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
• PubChem CID: 127251522
• Molecular Formula: C26H30N4O3
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.23
• IUPAC Name: 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
• SMILES: Cc1cc(Cc2ccccc2)cc(C2CN(C(=O)CCn3c(C)cc(C)nc3=O)CCO2)n1
• InChI: InChI=1S/C26H30N4O3/c1-18-13-20(3)30(26(32)28-18)10-9-25(31)29-11-12-33-24(17-29)23-16-22(14-19(2)27-23)15-21-7-5-4-6-8-21/h4-8,13-14,16,24H,9-12,15,17H2,1-3H3
• InChIKey: RGMYPJIPPBAOEX-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 77.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?

The IUPAC name of 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one (CID 127251522) is 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one.

What is the SMILES notation for 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?

The canonical SMILES for 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(Cc2ccccc2)cc(C2CN(C(=O)CCn3c(C)cc(C)nc3=O)CCO2)n1.

What is the InChIKey of 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?

The InChIKey is RGMYPJIPPBAOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18-13-20(3)30(26(32)28-18)10-9-25(31)29-11-12-33-24(17-29)23-16-22(14-19(2)27-23)15-21-7-5-4-6-8-21/h4-8,13-14,16,24H,9-12,15,17H2,1-3H3.

What are the key properties of 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?

1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 446.55 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(4-benzyl-6-methyl-2-pyridinyl)morpholin-4-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 127251522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).