3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

C12H22N4O2 — CID 83180772

IUPAC3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1ncnc(NC(C)CCO)c1OC
InChIInChI=1S/C12H22N4O2/c1-4-6-13-11-10(18-3)12(15-8-14-11)16-9(2)5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyGLMLGSGWRGCCSL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.49
Rot. Bonds8

About 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83180772) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID83180772
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1ncnc(NC(C)CCO)c1OC
InChIInChI=1S/C12H22N4O2/c1-4-6-13-11-10(18-3)12(15-8-14-11)16-9(2)5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyGLMLGSGWRGCCSL-UHFFFAOYSA-N
XLogP1.49
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-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-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 83180772) is 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1ncnc(NC(C)CCO)c1OC.
What is the InChIKey of 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is GLMLGSGWRGCCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-6-13-11-10(18-3)12(15-8-14-11)16-9(2)5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83180772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).