2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol

C9H15N3O — CID 63208523

IUPAC2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1cnc(NC(C)(C)CO)nc1
InChIInChI=1S/C9H15N3O/c1-7-4-10-8(11-5-7)12-9(2,3)6-13/h4-5,13H,6H2,1-3H3,(H,10,11,12)
InChIKeyQGYQMYLMCAKBHC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.97
Rot. Bonds3

About 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol

2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 63208523) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID63208523
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1cnc(NC(C)(C)CO)nc1
InChIInChI=1S/C9H15N3O/c1-7-4-10-8(11-5-7)12-9(2,3)6-13/h4-5,13H,6H2,1-3H3,(H,10,11,12)
InChIKeyQGYQMYLMCAKBHC-UHFFFAOYSA-N
XLogP0.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-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 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol (CID 63208523) is 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol is Cc1cnc(NC(C)(C)CO)nc1.
What is the InChIKey of 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is QGYQMYLMCAKBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-4-10-8(11-5-7)12-9(2,3)6-13/h4-5,13H,6H2,1-3H3,(H,10,11,12).
What are the key properties of 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol?
2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 63208523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).