2-amino-9-pentyl-1H-purin-6-one

C10H15N5O — CID 135415587

IUPAC2-amino-9-pentyl-1H-purin-6-one
SMILESCCCCCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H15N5O/c1-2-3-4-5-15-6-12-7-8(15)13-10(11)14-9(7)16/h6H,2-5H2,1H3,(H3,11,13,14,16)
InChIKeyPWNHFVHIQRRRCZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.89
Rot. Bonds4

About 2-amino-9-pentyl-1H-purin-6-one

2-amino-9-pentyl-1H-purin-6-one (PubChem CID 135415587) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-9-pentyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-pentyl-1H-purin-6-one
PubChem CID135415587
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-amino-9-pentyl-1H-purin-6-one
SMILESCCCCCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C10H15N5O/c1-2-3-4-5-15-6-12-7-8(15)13-10(11)14-9(7)16/h6H,2-5H2,1H3,(H3,11,13,14,16)
InChIKeyPWNHFVHIQRRRCZ-UHFFFAOYSA-N
XLogP0.89
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-pentyl-1H-purin-6-one?
The IUPAC name of 2-amino-9-pentyl-1H-purin-6-one (CID 135415587) is 2-amino-9-pentyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-pentyl-1H-purin-6-one?
The canonical SMILES for 2-amino-9-pentyl-1H-purin-6-one is CCCCCn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-pentyl-1H-purin-6-one?
The InChIKey is PWNHFVHIQRRRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-3-4-5-15-6-12-7-8(15)13-10(11)14-9(7)16/h6H,2-5H2,1H3,(H3,11,13,14,16).
What are the key properties of 2-amino-9-pentyl-1H-purin-6-one?
2-amino-9-pentyl-1H-purin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-pentyl-1H-purin-6-one is sourced from PubChem (CID 135415587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).