3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol

C10H17N3O2 — CID 122536305

IUPAC3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCc1cc(OCC(C)(C)CO)nc(N)n1
InChIInChI=1S/C10H17N3O2/c1-7-4-8(13-9(11)12-7)15-6-10(2,3)5-14/h4,14H,5-6H2,1-3H3,(H2,11,12,13)
InChIKeyRNWYBHUEWRCDOX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds4

About 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol

3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol (PubChem CID 122536305) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
PubChem CID122536305
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCc1cc(OCC(C)(C)CO)nc(N)n1
InChIInChI=1S/C10H17N3O2/c1-7-4-8(13-9(11)12-7)15-6-10(2,3)5-14/h4,14H,5-6H2,1-3H3,(H2,11,12,13)
InChIKeyRNWYBHUEWRCDOX-UHFFFAOYSA-N
XLogP0.76
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol 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 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol (CID 122536305) is 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol is Cc1cc(OCC(C)(C)CO)nc(N)n1.
What is the InChIKey of 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol?
The InChIKey is RNWYBHUEWRCDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-4-8(13-9(11)12-7)15-6-10(2,3)5-14/h4,14H,5-6H2,1-3H3,(H2,11,12,13).
What are the key properties of 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol?
3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 122536305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).