1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol

C11H19N3O — CID 78995484

IUPAC1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nccc(C)n1
InChIInChI=1S/C11H19N3O/c1-5-14(8-11(3,4)15)10-12-7-6-9(2)13-10/h6-7,15H,5,8H2,1-4H3
InChIKeyKZUSRJNLYMBOJL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.38
Rot. Bonds4

About 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol

1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol (PubChem CID 78995484) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
PubChem CID78995484
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nccc(C)n1
InChIInChI=1S/C11H19N3O/c1-5-14(8-11(3,4)15)10-12-7-6-9(2)13-10/h6-7,15H,5,8H2,1-4H3
InChIKeyKZUSRJNLYMBOJL-UHFFFAOYSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-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 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol (CID 78995484) is 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nccc(C)n1.
What is the InChIKey of 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol?
The InChIKey is KZUSRJNLYMBOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-14(8-11(3,4)15)10-12-7-6-9(2)13-10/h6-7,15H,5,8H2,1-4H3.
What are the key properties of 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol?
1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78995484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).