2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol

C13H21N3O2 — CID 86797850

IUPAC2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCCOc1cc(N2CCCC2C(C)(C)O)ncn1
InChIInChI=1S/C13H21N3O2/c1-4-18-12-8-11(14-9-15-12)16-7-5-6-10(16)13(2,3)17/h8-10,17H,4-7H2,1-3H3
InChIKeyPBCNJCGOTKJWSD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds4

About 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol

2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 86797850) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID86797850
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCCOc1cc(N2CCCC2C(C)(C)O)ncn1
InChIInChI=1S/C13H21N3O2/c1-4-18-12-8-11(14-9-15-12)16-7-5-6-10(16)13(2,3)17/h8-10,17H,4-7H2,1-3H3
InChIKeyPBCNJCGOTKJWSD-UHFFFAOYSA-N
XLogP1.62
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-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 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol (CID 86797850) is 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol is CCOc1cc(N2CCCC2C(C)(C)O)ncn1.
What is the InChIKey of 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is PBCNJCGOTKJWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-12-8-11(14-9-15-12)16-7-5-6-10(16)13(2,3)17/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 86797850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).