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

C17H19N5O3 — CID 3704829

IUPAC7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCc1ccc(N2CC(O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C17H19N5O3/c1-10-4-6-11(7-5-10)21-8-12(23)9-22-13-14(18-16(21)22)19(2)17(25)20(3)15(13)24/h4-7,12,23H,8-9H2,1-3H3
InChIKeyZCEXTPQHUUJXGV-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.25
Rot. Bonds1

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

7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 3704829) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
PubChem CID3704829
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SMILESCc1ccc(N2CC(O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C17H19N5O3/c1-10-4-6-11(7-5-10)21-8-12(23)9-22-13-14(18-16(21)22)19(2)17(25)20(3)15(13)24/h4-7,12,23H,8-9H2,1-3H3
InChIKeyZCEXTPQHUUJXGV-UHFFFAOYSA-N
XLogP0.25
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 3704829) is 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is Cc1ccc(N2CC(O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1.
What is the InChIKey of 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is ZCEXTPQHUUJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10-4-6-11(7-5-10)21-8-12(23)9-22-13-14(18-16(21)22)19(2)17(25)20(3)15(13)24/h4-7,12,23H,8-9H2,1-3H3.
What are the key properties of 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?
7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,3-dimethyl-9-(4-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 3704829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).