8-amino-1-tert-butyl-2-methyl-7H-purin-6-one

C10H15N5O — CID 155151481

IUPAC8-amino-1-tert-butyl-2-methyl-7H-purin-6-one
SMILESCc1nc2nc(N)[nH]c2c(=O)n1C(C)(C)C
InChIInChI=1S/C10H15N5O/c1-5-12-7-6(13-9(11)14-7)8(16)15(5)10(2,3)4/h1-4H3,(H3,11,13,14)
InChIKeyPUDDDRGUHJMRQL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.77
Rot. Bonds

About 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one

8-amino-1-tert-butyl-2-methyl-7H-purin-6-one (PubChem CID 155151481) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one.

Molecular Properties

Compound Name8-amino-1-tert-butyl-2-methyl-7H-purin-6-one
PubChem CID155151481
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name8-amino-1-tert-butyl-2-methyl-7H-purin-6-one
SMILESCc1nc2nc(N)[nH]c2c(=O)n1C(C)(C)C
InChIInChI=1S/C10H15N5O/c1-5-12-7-6(13-9(11)14-7)8(16)15(5)10(2,3)4/h1-4H3,(H3,11,13,14)
InChIKeyPUDDDRGUHJMRQL-UHFFFAOYSA-N
XLogP0.77
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one?
The IUPAC name of 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one (CID 155151481) is 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one.
What is the SMILES notation for 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one?
The canonical SMILES for 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one is Cc1nc2nc(N)[nH]c2c(=O)n1C(C)(C)C.
What is the InChIKey of 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one?
The InChIKey is PUDDDRGUHJMRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-5-12-7-6(13-9(11)14-7)8(16)15(5)10(2,3)4/h1-4H3,(H3,11,13,14).
What are the key properties of 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one?
8-amino-1-tert-butyl-2-methyl-7H-purin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-tert-butyl-2-methyl-7H-purin-6-one is sourced from PubChem (CID 155151481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).