6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione

C18H17N3O6 — CID 163201135

About 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 163201135) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione
• PubChem CID: 163201135
• Molecular Formula: C18H17N3O6
• Molecular Weight: 371.35 g/mol
• Exact Mass: 371.11
• IUPAC Name: 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione
• SMILES: Cc1cc(O)c(C(c2cccnc2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)o1
• InChI: InChI=1S/C18H17N3O6/c1-9-7-11(22)13(17(25)27-9)12(10-5-4-6-19-8-10)14-15(23)20(2)18(26)21(3)16(14)24/h4-8,12,22-23H,1-3H3
• InChIKey: FYGPCYFQXPIWFN-UHFFFAOYSA-N
• XLogP: 0.33
• TPSA: 127.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.35
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione?

The IUPAC name of 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 163201135) is 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione.

What is the SMILES notation for 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione?

The canonical SMILES for 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cc(O)c(C(c2cccnc2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)o1.

What is the InChIKey of 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione?

The InChIKey is FYGPCYFQXPIWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-9-7-11(22)13(17(25)27-9)12(10-5-4-6-19-8-10)14-15(23)20(2)18(26)21(3)16(14)24/h4-8,12,22-23H,1-3H3.

What are the key properties of 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione?

6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 371.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-pyridin-3-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 163201135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).