6-(propylamino)-3,7-dihydropurin-2-one

C8H11N5O — CID 86270675

IUPAC6-(propylamino)-3,7-dihydropurin-2-one
SMILESCCCNc1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-2-3-9-6-5-7(11-4-10-5)13-8(14)12-6/h4H,2-3H2,1H3,(H3,9,10,11,12,13,14)
InChIKeyUZHKHISSFCOQQY-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.47
Rot. Bonds3

About 6-(propylamino)-3,7-dihydropurin-2-one

6-(propylamino)-3,7-dihydropurin-2-one (PubChem CID 86270675) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-(propylamino)-3,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-(propylamino)-3,7-dihydropurin-2-one
PubChem CID86270675
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name6-(propylamino)-3,7-dihydropurin-2-one
SMILESCCCNc1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-2-3-9-6-5-7(11-4-10-5)13-8(14)12-6/h4H,2-3H2,1H3,(H3,9,10,11,12,13,14)
InChIKeyUZHKHISSFCOQQY-UHFFFAOYSA-N
XLogP0.47
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-3,7-dihydropurin-2-one?
The IUPAC name of 6-(propylamino)-3,7-dihydropurin-2-one (CID 86270675) is 6-(propylamino)-3,7-dihydropurin-2-one.
What is the SMILES notation for 6-(propylamino)-3,7-dihydropurin-2-one?
The canonical SMILES for 6-(propylamino)-3,7-dihydropurin-2-one is CCCNc1nc(=O)[nH]c2nc[nH]c12.
What is the InChIKey of 6-(propylamino)-3,7-dihydropurin-2-one?
The InChIKey is UZHKHISSFCOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-3-9-6-5-7(11-4-10-5)13-8(14)12-6/h4H,2-3H2,1H3,(H3,9,10,11,12,13,14).
What are the key properties of 6-(propylamino)-3,7-dihydropurin-2-one?
6-(propylamino)-3,7-dihydropurin-2-one has a molecular weight of 193.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-3,7-dihydropurin-2-one is sourced from PubChem (CID 86270675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).