2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one

C11H17N5O — CID 139494731

IUPAC2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one
SMILESCC(C)C(C)n1c(N)nc2ncn(C)c2c1=O
InChIInChI=1S/C11H17N5O/c1-6(2)7(3)16-10(17)8-9(14-11(16)12)13-5-15(8)4/h5-7H,1-4H3,(H2,12,14)
InChIKeyUVFDWJDZAPFENK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.93
Rot. Bonds2

About 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one

2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one (PubChem CID 139494731) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one.

Molecular Properties

Compound Name2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one
PubChem CID139494731
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one
SMILESCC(C)C(C)n1c(N)nc2ncn(C)c2c1=O
InChIInChI=1S/C11H17N5O/c1-6(2)7(3)16-10(17)8-9(14-11(16)12)13-5-15(8)4/h5-7H,1-4H3,(H2,12,14)
InChIKeyUVFDWJDZAPFENK-UHFFFAOYSA-N
XLogP0.93
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one?
The IUPAC name of 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one (CID 139494731) is 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one.
What is the SMILES notation for 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one?
The canonical SMILES for 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one is CC(C)C(C)n1c(N)nc2ncn(C)c2c1=O.
What is the InChIKey of 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one?
The InChIKey is UVFDWJDZAPFENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-6(2)7(3)16-10(17)8-9(14-11(16)12)13-5-15(8)4/h5-7H,1-4H3,(H2,12,14).
What are the key properties of 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one?
2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-1-(3-methylbutan-2-yl)purin-6-one is sourced from PubChem (CID 139494731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).