2-amino-2-propyl-1H-purin-6-one

C8H11N5O — CID 21087610

IUPAC2-amino-2-propyl-1H-purin-6-one
SMILESCCCC1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C8H11N5O/c1-2-3-8(9)12-6-5(7(14)13-8)10-4-11-6/h4H,2-3,9H2,1H3,(H,13,14)
InChIKeyHTOVHZGIBCAAJU-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.59
Rot. Bonds2

About 2-amino-2-propyl-1H-purin-6-one

2-amino-2-propyl-1H-purin-6-one (PubChem CID 21087610) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-2-propyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-2-propyl-1H-purin-6-one
PubChem CID21087610
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-2-propyl-1H-purin-6-one
SMILESCCCC1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C8H11N5O/c1-2-3-8(9)12-6-5(7(14)13-8)10-4-11-6/h4H,2-3,9H2,1H3,(H,13,14)
InChIKeyHTOVHZGIBCAAJU-UHFFFAOYSA-N
XLogP-0.59
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-propyl-1H-purin-6-one?
The IUPAC name of 2-amino-2-propyl-1H-purin-6-one (CID 21087610) is 2-amino-2-propyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-2-propyl-1H-purin-6-one?
The canonical SMILES for 2-amino-2-propyl-1H-purin-6-one is CCCC1(N)N=C2N=CN=C2C(=O)N1.
What is the InChIKey of 2-amino-2-propyl-1H-purin-6-one?
The InChIKey is HTOVHZGIBCAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-3-8(9)12-6-5(7(14)13-8)10-4-11-6/h4H,2-3,9H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-propyl-1H-purin-6-one?
2-amino-2-propyl-1H-purin-6-one has a molecular weight of 193.21 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-propyl-1H-purin-6-one is sourced from PubChem (CID 21087610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).