8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione

C17H20N4O3 — CID 135433923

IUPAC8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)nc2n(CCC)c1=O
InChIInChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyGLDYYZLOHBXJBU-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.08
Rot. Bonds5

About 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione

8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 135433923) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID135433923
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)nc2n(CCC)c1=O
InChIInChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyGLDYYZLOHBXJBU-UHFFFAOYSA-N
XLogP2.08
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione with MolForge

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Related Compounds

Xanthine amine congener
CID 5697
3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
CID 128784
1,3-Diethyl-8-phenylxanthine
CID 1328
BW A1433
CID 6439089
8-(4-Carboxymethyloxy)phenyl-1,3-dipropylxanthine
CID 126079
1-Butyl-8-phenyl-3,7-dihydro-purine-2,6-dione
CID 11781054
8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione
CID 15627855
1H-Purine-2,6,dione, 3,7-dihydro-1-methyl-8-phenyl-3-propyl-
CID 3075952
1H-Purine-2,6,dione, 3,7-dihydro-3-methyl-8-phenyl-1-propyl-
CID 3075953
8-[(4-Methoxyphenyl)methylamino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CID 662644
8-Cyclohexylamino-1,3-diethyl-7-(4-hydroxy-benzyl)-3,7-dihydro-purine-2,6-dione
CID 10070215
8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CID 10085373

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione (CID 135433923) is 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)nc2n(CCC)c1=O.
What is the InChIKey of 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is GLDYYZLOHBXJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 328.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxyphenyl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 135433923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).