2-amino-9-pentyl-1,7-dihydropurine-6,8-dione

C10H15N5O2 — CID 155214720

IUPAC2-amino-9-pentyl-1,7-dihydropurine-6,8-dione
SMILESCCCCCn1c(=O)[nH]c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H15N5O2/c1-2-3-4-5-15-7-6(12-10(15)17)8(16)14-9(11)13-7/h2-5H2,1H3,(H,12,17)(H3,11,13,14,16)
InChIKeyBEUSKPBXKNKVGR-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.19
Rot. Bonds4

About 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione

2-amino-9-pentyl-1,7-dihydropurine-6,8-dione (PubChem CID 155214720) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name2-amino-9-pentyl-1,7-dihydropurine-6,8-dione
PubChem CID155214720
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-amino-9-pentyl-1,7-dihydropurine-6,8-dione
SMILESCCCCCn1c(=O)[nH]c2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H15N5O2/c1-2-3-4-5-15-7-6(12-10(15)17)8(16)14-9(11)13-7/h2-5H2,1H3,(H,12,17)(H3,11,13,14,16)
InChIKeyBEUSKPBXKNKVGR-UHFFFAOYSA-N
XLogP0.19
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione?
The IUPAC name of 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione (CID 155214720) is 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione is CCCCCn1c(=O)[nH]c2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione?
The InChIKey is BEUSKPBXKNKVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-3-4-5-15-7-6(12-10(15)17)8(16)14-9(11)13-7/h2-5H2,1H3,(H,12,17)(H3,11,13,14,16).
What are the key properties of 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione?
2-amino-9-pentyl-1,7-dihydropurine-6,8-dione has a molecular weight of 237.26 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-pentyl-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 155214720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).