6-amino-9-benzyl-2-propyl-7H-purin-8-one

C15H17N5O — CID 10934931

IUPAC6-amino-9-benzyl-2-propyl-7H-purin-8-one
SMILESCCCc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C15H17N5O/c1-2-6-11-17-13(16)12-14(18-11)20(15(21)19-12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,19,21)(H2,16,17,18)
InChIKeyZXSZYXSKVSMPOD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.70
Rot. Bonds4

About 6-amino-9-benzyl-2-propyl-7H-purin-8-one

6-amino-9-benzyl-2-propyl-7H-purin-8-one (PubChem CID 10934931) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-amino-9-benzyl-2-propyl-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-9-benzyl-2-propyl-7H-purin-8-one
PubChem CID10934931
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name6-amino-9-benzyl-2-propyl-7H-purin-8-one
SMILESCCCc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C15H17N5O/c1-2-6-11-17-13(16)12-14(18-11)20(15(21)19-12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,19,21)(H2,16,17,18)
InChIKeyZXSZYXSKVSMPOD-UHFFFAOYSA-N
XLogP1.70
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-9-benzyl-2-propyl-7H-purin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-benzyl-2-propyl-7H-purin-8-one?
The IUPAC name of 6-amino-9-benzyl-2-propyl-7H-purin-8-one (CID 10934931) is 6-amino-9-benzyl-2-propyl-7H-purin-8-one.
What is the SMILES notation for 6-amino-9-benzyl-2-propyl-7H-purin-8-one?
The canonical SMILES for 6-amino-9-benzyl-2-propyl-7H-purin-8-one is CCCc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1.
What is the InChIKey of 6-amino-9-benzyl-2-propyl-7H-purin-8-one?
The InChIKey is ZXSZYXSKVSMPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-6-11-17-13(16)12-14(18-11)20(15(21)19-12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,19,21)(H2,16,17,18).
What are the key properties of 6-amino-9-benzyl-2-propyl-7H-purin-8-one?
6-amino-9-benzyl-2-propyl-7H-purin-8-one has a molecular weight of 283.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-benzyl-2-propyl-7H-purin-8-one is sourced from PubChem (CID 10934931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).