8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione

C16H24N4O2 — CID 1329

IUPAC8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O
InChIInChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyFFBDFADSZUINTG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.36
Rot. Bonds5

About 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione

8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 1329) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID1329
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O
InChIInChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyFFBDFADSZUINTG-UHFFFAOYSA-N
XLogP2.36
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Isobutyl-1-methylxanthine
CID 3758
8-Cyclopentyltheophylline
CID 1917
Rolofylline
CID 11948288
Cipamfylline
CID 71356
Gsk-256073
CID 46215799
8-(Dicyclopropylmethyl)-1,3-dipropylxanthine
CID 131337
8-Cyclohexylcaffeine
CID 225229
1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-
CID 3048504
8-Isopropyltheophylline
CID 76103
3,9-Dihydro-1,3-dimethyl-8-propyl-1H-purine-2,6-dione
CID 76104
Cpfpx
CID 5461879
8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dihydro-purine-2,6-dione
CID 10041802

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione (CID 1329) is 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O.
What is the InChIKey of 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is FFBDFADSZUINTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione?
8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 304.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 1329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).