2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione

C11H18BrN5O3 — CID 11806

IUPAC2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
SMILESCC(C)(N)CO.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O
InChIInChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
InChIKeyATOTUUBRFJHZQG-UHFFFAOYSA-N
MW348.20 g/mol
LogP-0.56
Rot. Bonds1

About 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione

2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 11806) has the molecular formula C11H18BrN5O3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID11806
Molecular FormulaC11H18BrN5O3
Molecular Weight348.20 g/mol
Exact Mass347.06
IUPAC Name2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
SMILESCC(C)(N)CO.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O
InChIInChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
InChIKeyATOTUUBRFJHZQG-UHFFFAOYSA-N
XLogP-0.56
TPSA118.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione (CID 11806) is 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione is CC(C)(N)CO.Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is ATOTUUBRFJHZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3.
What are the key properties of 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione?
2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 348.20 g/mol, XLogP of -0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 11806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).