3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol

C7H10FN3OS — CID 80890216

IUPAC3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol
SMILESNc1ncc(F)c(SCCCO)n1
InChIInChI=1S/C7H10FN3OS/c8-5-4-10-7(9)11-6(5)13-3-1-2-12/h4,12H,1-3H2,(H2,9,10,11)
InChIKeyIOYSVIJZJIJBTJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.67
Rot. Bonds4

About 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol

3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol (PubChem CID 80890216) has the molecular formula C7H10FN3OS and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol
PubChem CID80890216
Molecular FormulaC7H10FN3OS
Molecular Weight203.24 g/mol
Exact Mass203.05
IUPAC Name3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol
SMILESNc1ncc(F)c(SCCCO)n1
InChIInChI=1S/C7H10FN3OS/c8-5-4-10-7(9)11-6(5)13-3-1-2-12/h4,12H,1-3H2,(H2,9,10,11)
InChIKeyIOYSVIJZJIJBTJ-UHFFFAOYSA-N
XLogP0.67
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol?
The IUPAC name of 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol (CID 80890216) is 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol is Nc1ncc(F)c(SCCCO)n1.
What is the InChIKey of 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol?
The InChIKey is IOYSVIJZJIJBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3OS/c8-5-4-10-7(9)11-6(5)13-3-1-2-12/h4,12H,1-3H2,(H2,9,10,11).
What are the key properties of 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol?
3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol has a molecular weight of 203.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 80890216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).