3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol

C15H25N3O — CID 56877082

IUPAC3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol
SMILESCN(CC(C)(C)CO)c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,11-19)10-18(3)14-16-9-8-13(17-14)12-6-4-5-7-12/h8-9,12,19H,4-7,10-11H2,1-3H3
InChIKeyGSYGQTXEPASRCS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.59
Rot. Bonds5

About 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol

3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 56877082) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol
PubChem CID56877082
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol
SMILESCN(CC(C)(C)CO)c1nccc(C2CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,11-19)10-18(3)14-16-9-8-13(17-14)12-6-4-5-7-12/h8-9,12,19H,4-7,10-11H2,1-3H3
InChIKeyGSYGQTXEPASRCS-UHFFFAOYSA-N
XLogP2.59
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-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-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol (CID 56877082) is 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol is CN(CC(C)(C)CO)c1nccc(C2CCCC2)n1.
What is the InChIKey of 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is GSYGQTXEPASRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,11-19)10-18(3)14-16-9-8-13(17-14)12-6-4-5-7-12/h8-9,12,19H,4-7,10-11H2,1-3H3.
What are the key properties of 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol?
3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 56877082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).