3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol

C8H12FN3O — CID 83188660

IUPAC3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3O/c1-6(2-3-13)12-8-4-7(9)10-5-11-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)
InChIKeyPBSGIIZDRNRYRQ-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.80
Rot. Bonds4

About 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol

3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol (PubChem CID 83188660) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol
PubChem CID83188660
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3O/c1-6(2-3-13)12-8-4-7(9)10-5-11-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)
InChIKeyPBSGIIZDRNRYRQ-UHFFFAOYSA-N
XLogP0.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(6-fluoropyrimidin-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-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol (CID 83188660) is 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol is CC(CCO)Nc1cc(F)ncn1.
What is the InChIKey of 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is PBSGIIZDRNRYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-6(2-3-13)12-8-4-7(9)10-5-11-8/h4-6,13H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol?
3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 185.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoropyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 83188660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).