4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one

C19H25N5O2 — CID 137064323

About 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one

4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 137064323) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
• PubChem CID: 137064323
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
• SMILES: CNC1CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[nH]c2=O)C1
• InChI: InChI=1S/C19H25N5O2/c1-13-16(7-8-17(25)24-10-4-6-15(12-24)20-2)19(26)23-18(22-13)14-5-3-9-21-11-14/h3,5,9,11,15,20H,4,6-8,10,12H2,1-2H3,(H,22,23,26)
• InChIKey: JYUZUPMYCOQHQZ-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one?

The IUPAC name of 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 137064323) is 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one.

What is the SMILES notation for 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one?

The canonical SMILES for 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one is CNC1CCCN(C(=O)CCc2c(C)nc(-c3cccnc3)[nH]c2=O)C1.

What is the InChIKey of 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one?

The InChIKey is JYUZUPMYCOQHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-16(7-8-17(25)24-10-4-6-15(12-24)20-2)19(26)23-18(22-13)14-5-3-9-21-11-14/h3,5,9,11,15,20H,4,6-8,10,12H2,1-2H3,(H,22,23,26).

What are the key properties of 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one?

4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 355.44 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137064323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).