8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione

C16H25N5O2 — CID 3047747

IUPAC8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C3(N)CCCC3)nc2n(CCC)c1=O
InChIInChI=1S/C16H25N5O2/c1-3-9-20-12-11(13(22)21(10-4-2)15(20)23)18-14(19-12)16(17)7-5-6-8-16/h3-10,17H2,1-2H3,(H,18,19)
InChIKeyUFOBUCDTKQDDTN-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.43
Rot. Bonds5

About 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione

8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 3047747) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID3047747
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(C3(N)CCCC3)nc2n(CCC)c1=O
InChIInChI=1S/C16H25N5O2/c1-3-9-20-12-11(13(22)21(10-4-2)15(20)23)18-14(19-12)16(17)7-5-6-8-16/h3-10,17H2,1-2H3,(H,18,19)
InChIKeyUFOBUCDTKQDDTN-UHFFFAOYSA-N
XLogP1.43
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione (CID 3047747) is 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(C3(N)CCCC3)nc2n(CCC)c1=O.
What is the InChIKey of 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is UFOBUCDTKQDDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-9-20-12-11(13(22)21(10-4-2)15(20)23)18-14(19-12)16(17)7-5-6-8-16/h3-10,17H2,1-2H3,(H,18,19).
What are the key properties of 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 319.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 3047747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).