2-amino-2-(2-methylpropanoyl)-1H-purin-6-one

C9H11N5O2 — CID 22177547

IUPAC2-amino-2-(2-methylpropanoyl)-1H-purin-6-one
SMILESCC(C)C(=O)C1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C9H11N5O2/c1-4(2)6(15)9(10)13-7-5(8(16)14-9)11-3-12-7/h3-4H,10H2,1-2H3,(H,14,16)
InChIKeyFPFFNQPMAMKBOZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-1.16
Rot. Bonds2

About 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one

2-amino-2-(2-methylpropanoyl)-1H-purin-6-one (PubChem CID 22177547) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-2-(2-methylpropanoyl)-1H-purin-6-one
PubChem CID22177547
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-amino-2-(2-methylpropanoyl)-1H-purin-6-one
SMILESCC(C)C(=O)C1(N)N=C2N=CN=C2C(=O)N1
InChIInChI=1S/C9H11N5O2/c1-4(2)6(15)9(10)13-7-5(8(16)14-9)11-3-12-7/h3-4H,10H2,1-2H3,(H,14,16)
InChIKeyFPFFNQPMAMKBOZ-UHFFFAOYSA-N
XLogP-1.16
TPSA109.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one?
The IUPAC name of 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one (CID 22177547) is 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one.
What is the SMILES notation for 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one?
The canonical SMILES for 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one is CC(C)C(=O)C1(N)N=C2N=CN=C2C(=O)N1.
What is the InChIKey of 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one?
The InChIKey is FPFFNQPMAMKBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-4(2)6(15)9(10)13-7-5(8(16)14-9)11-3-12-7/h3-4H,10H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one?
2-amino-2-(2-methylpropanoyl)-1H-purin-6-one has a molecular weight of 221.22 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one is sourced from PubChem (CID 22177547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).