2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one

C19H23N5O — CID 67192387

IUPAC2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one
SMILESCCCn1c(Nc2ccccc2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C19H23N5O/c1-2-12-24-18(25)15-17(22-16(21-15)13-8-6-7-9-13)23-19(24)20-14-10-4-3-5-11-14/h3-5,10-11,13H,2,6-9,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyDZMZWDANOIAWHT-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.93
Rot. Bonds5

About 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one

2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one (PubChem CID 67192387) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one.

Molecular Properties

Compound Name2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one
PubChem CID67192387
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one
SMILESCCCn1c(Nc2ccccc2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C19H23N5O/c1-2-12-24-18(25)15-17(22-16(21-15)13-8-6-7-9-13)23-19(24)20-14-10-4-3-5-11-14/h3-5,10-11,13H,2,6-9,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyDZMZWDANOIAWHT-UHFFFAOYSA-N
XLogP3.93
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one?
The IUPAC name of 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one (CID 67192387) is 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one.
What is the SMILES notation for 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one?
The canonical SMILES for 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one is CCCn1c(Nc2ccccc2)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one?
The InChIKey is DZMZWDANOIAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-12-24-18(25)15-17(22-16(21-15)13-8-6-7-9-13)23-19(24)20-14-10-4-3-5-11-14/h3-5,10-11,13H,2,6-9,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one?
2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one has a molecular weight of 337.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-cyclopentyl-1-propyl-7H-purin-6-one is sourced from PubChem (CID 67192387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).