3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

C18H24N4O3 — CID 91832572

About 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 91832572) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
• PubChem CID: 91832572
• Molecular Formula: C18H24N4O3
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.18
• IUPAC Name: 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
• SMILES: Cc1cc(=O)n(CCN2CCC(C(O)c3ccccn3)CC2)c(=O)[nH]1
• InChI: InChI=1S/C18H24N4O3/c1-13-12-16(23)22(18(25)20-13)11-10-21-8-5-14(6-9-21)17(24)15-4-2-3-7-19-15/h2-4,7,12,14,17,24H,5-6,8-11H2,1H3,(H,20,25)
• InChIKey: OUQBBQUFKQRJMI-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 91.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?

The IUPAC name of 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 91832572) is 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?

The canonical SMILES for 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CCN2CCC(C(O)c3ccccn3)CC2)c(=O)[nH]1.

What is the InChIKey of 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?

The InChIKey is OUQBBQUFKQRJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-12-16(23)22(18(25)20-13)11-10-21-8-5-14(6-9-21)17(24)15-4-2-3-7-19-15/h2-4,7,12,14,17,24H,5-6,8-11H2,1H3,(H,20,25).

What are the key properties of 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?

3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91832572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).