3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol

C10H16FN3O2 — CID 80866703

IUPAC3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCCNc1ncc(F)c(OCCCO)n1
InChIInChI=1S/C10H16FN3O2/c1-2-4-12-10-13-7-8(11)9(14-10)16-6-3-5-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyRBAPARAIUBXVGE-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.20
Rot. Bonds7

About 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol

3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol (PubChem CID 80866703) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
PubChem CID80866703
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Name3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCCNc1ncc(F)c(OCCCO)n1
InChIInChI=1S/C10H16FN3O2/c1-2-4-12-10-13-7-8(11)9(14-10)16-6-3-5-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyRBAPARAIUBXVGE-UHFFFAOYSA-N
XLogP1.20
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-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

Related Compounds

3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865636
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872490
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
5-fluoro-4-(2-methylbut-3-yn-2-yloxy)-N-propylpyrimidin-2-amine
CID 113461420
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol (CID 80866703) is 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol is CCCNc1ncc(F)c(OCCCO)n1.
What is the InChIKey of 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The InChIKey is RBAPARAIUBXVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-2-4-12-10-13-7-8(11)9(14-10)16-6-3-5-15/h7,15H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol has a molecular weight of 229.25 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 80866703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).