9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one

C13H20N4O — CID 67194830

IUPAC9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one
SMILESCCCn1cnc2c(c1=O)NCN2C1CCCC1
InChIInChI=1S/C13H20N4O/c1-2-7-16-8-15-12-11(13(16)18)14-9-17(12)10-5-3-4-6-10/h8,10,14H,2-7,9H2,1H3
InChIKeyVRQVPHXLAMVBJV-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds3

About 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one

9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one (PubChem CID 67194830) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one.

Molecular Properties

Compound Name9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one
PubChem CID67194830
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one
SMILESCCCn1cnc2c(c1=O)NCN2C1CCCC1
InChIInChI=1S/C13H20N4O/c1-2-7-16-8-15-12-11(13(16)18)14-9-17(12)10-5-3-4-6-10/h8,10,14H,2-7,9H2,1H3
InChIKeyVRQVPHXLAMVBJV-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-9-hexyl-1,7-dihydropurine-6,8-dione
CID 135415605
2-amino-9-hexyl-7-methyl-1H-purine-6,8-dione
CID 135415606
3,7-Dimethyl-7-[5-(methylamino)hexyl]purin-7-ium-2,6-dione
CID 54114422
7-[5-(Dimethylamino)hexyl]-3,7-dimethylpurin-7-ium-2,6-dione
CID 54272657
7-(5-Aminohexyl)-3,7-dimethylpurin-7-ium-2,6-dione
CID 54534836
7-(7-Aminooctyl)-3,7-dimethylpurin-7-ium-2,6-dione
CID 88443451
9-(1-Propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 135971554
9-(1-Tert-butylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 136137284
2-amino-9-hexyl-7,8-dihydro-1H-purin-6-one
CID 136391535
9-propyl-7,8-dihydro-1H-purin-6-one
CID 136410919
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 136477508

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one?
The IUPAC name of 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one (CID 67194830) is 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one.
What is the SMILES notation for 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one?
The canonical SMILES for 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one is CCCn1cnc2c(c1=O)NCN2C1CCCC1.
What is the InChIKey of 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one?
The InChIKey is VRQVPHXLAMVBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-7-16-8-15-12-11(13(16)18)14-9-17(12)10-5-3-4-6-10/h8,10,14H,2-7,9H2,1H3.
What are the key properties of 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one?
9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one has a molecular weight of 248.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-1-propyl-7,8-dihydropurin-6-one is sourced from PubChem (CID 67194830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).