(7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

C16H17N5O4 — CID 829276

About (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

(7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 829276) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• PubChem CID: 829276
• Molecular Formula: C16H17N5O4
• Molecular Weight: 343.34 g/mol
• Exact Mass: 343.13
• IUPAC Name: (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• SMILES: Cn1c(=O)c2c(nc3n2C[C@H](O)CN3c2ccc(O)cc2)n(C)c1=O
• InChI: InChI=1S/C16H17N5O4/c1-18-13-12(14(24)19(2)16(18)25)21-8-11(23)7-20(15(21)17-13)9-3-5-10(22)6-4-9/h3-6,11,22-23H,7-8H2,1-2H3/t11-/m1/s1
• InChIKey: VYBIIOVQFBOEIL-LLVKDONJSA-N
• XLogP: -0.35
• TPSA: 105.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.34
LogP ≤ 5	-0.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?

The IUPAC name of (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 829276) is (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

What is the SMILES notation for (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?

The canonical SMILES for (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is Cn1c(=O)c2c(nc3n2C[C@H](O)CN3c2ccc(O)cc2)n(C)c1=O.

What is the InChIKey of (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?

The InChIKey is VYBIIOVQFBOEIL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-18-13-12(14(24)19(2)16(18)25)21-8-11(23)7-20(15(21)17-13)9-3-5-10(22)6-4-9/h3-6,11,22-23H,7-8H2,1-2H3/t11-/m1/s1.

What are the key properties of (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?

(7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 343.34 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-hydroxy-9-(4-hydroxyphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 829276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).