5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine

C10H14FN3O — CID 134598554

IUPAC5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1ncnc(NC2COC2)c1F
InChIInChI=1S/C10H14FN3O/c1-6(2)9-8(11)10(13-5-12-9)14-7-3-15-4-7/h5-7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyHWSHBJCPOZVUHO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.55
Rot. Bonds3

About 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine

5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 134598554) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID134598554
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1ncnc(NC2COC2)c1F
InChIInChI=1S/C10H14FN3O/c1-6(2)9-8(11)10(13-5-12-9)14-7-3-15-4-7/h5-7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyHWSHBJCPOZVUHO-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine (CID 134598554) is 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1ncnc(NC2COC2)c1F.
What is the InChIKey of 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is HWSHBJCPOZVUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-6(2)9-8(11)10(13-5-12-9)14-7-3-15-4-7/h5-7H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine?
5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 211.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 134598554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).