3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol

C11H19N3O — CID 106287831

IUPAC3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNc1ccncn1
InChIInChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-13-11-5-6-12-8-14-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,12,13,14)
InChIKeyAWUZBLQYBAYLNM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds6

About 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol

3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol (PubChem CID 106287831) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
PubChem CID106287831
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNc1ccncn1
InChIInChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-13-11-5-6-12-8-14-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,12,13,14)
InChIKeyAWUZBLQYBAYLNM-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-(pyrimidin-4-ylamino)pentan-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 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol (CID 106287831) is 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol is CCC(CC)C(O)CNc1ccncn1.
What is the InChIKey of 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol?
The InChIKey is AWUZBLQYBAYLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(4-2)10(15)7-13-11-5-6-12-8-14-11/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol?
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol is sourced from PubChem (CID 106287831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).