8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one

C15H23N5O2 — CID 10447826

IUPAC8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one
SMILESCCCn1c(=O)nc(NCCO)c2[nH]c(C3CCCC3)nc21
InChIInChI=1S/C15H23N5O2/c1-2-8-20-14-11(13(16-7-9-21)19-15(20)22)17-12(18-14)10-5-3-4-6-10/h10,21H,2-9H2,1H3,(H,17,18)(H,16,19,22)
InChIKeyPQKUCDLIOOOURL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.59
Rot. Bonds6

About 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one

8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one (PubChem CID 10447826) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one
PubChem CID10447826
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one
SMILESCCCn1c(=O)nc(NCCO)c2[nH]c(C3CCCC3)nc21
InChIInChI=1S/C15H23N5O2/c1-2-8-20-14-11(13(16-7-9-21)19-15(20)22)17-12(18-14)10-5-3-4-6-10/h10,21H,2-9H2,1H3,(H,17,18)(H,16,19,22)
InChIKeyPQKUCDLIOOOURL-UHFFFAOYSA-N
XLogP1.59
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one?
The IUPAC name of 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one (CID 10447826) is 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one.
What is the SMILES notation for 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one?
The canonical SMILES for 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one is CCCn1c(=O)nc(NCCO)c2[nH]c(C3CCCC3)nc21.
What is the InChIKey of 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one?
The InChIKey is PQKUCDLIOOOURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-2-8-20-14-11(13(16-7-9-21)19-15(20)22)17-12(18-14)10-5-3-4-6-10/h10,21H,2-9H2,1H3,(H,17,18)(H,16,19,22).
What are the key properties of 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one?
8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one has a molecular weight of 305.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(2-hydroxyethylamino)-3-propyl-7H-purin-2-one is sourced from PubChem (CID 10447826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).