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

C11H19N5O3 — CID 21850

IUPAC2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione
SMILESCC(C)(N)CO.Cn1c(=O)c2[nH]cnc2n(C)c1=O
InChIInChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3
InChIKeySEIRRUDMPNNSCY-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.32
Rot. Bonds1

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

2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 21850) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione
PubChem CID21850
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione
SMILESCC(C)(N)CO.Cn1c(=O)c2[nH]cnc2n(C)c1=O
InChIInChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3
InChIKeySEIRRUDMPNNSCY-UHFFFAOYSA-N
XLogP-1.32
TPSA118.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione (CID 21850) is 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione is CC(C)(N)CO.Cn1c(=O)c2[nH]cnc2n(C)c1=O.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is SEIRRUDMPNNSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3.
What are the key properties of 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione?
2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 269.30 g/mol, XLogP of -1.32, 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;1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 21850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).