N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine

C9H12FN3O2 — CID 59160683

IUPACN-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1ncc(F)c(NOCC)n1
InChIInChI=1S/C9H12FN3O2/c1-3-5-14-9-11-6-7(10)8(12-9)13-15-4-2/h3,6H,1,4-5H2,2H3,(H,11,12,13)
InChIKeyCKJKPSATXPZJDP-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.54
Rot. Bonds6

About N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine

N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine (PubChem CID 59160683) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine
PubChem CID59160683
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC NameN-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1ncc(F)c(NOCC)n1
InChIInChI=1S/C9H12FN3O2/c1-3-5-14-9-11-6-7(10)8(12-9)13-15-4-2/h3,6H,1,4-5H2,2H3,(H,11,12,13)
InChIKeyCKJKPSATXPZJDP-UHFFFAOYSA-N
XLogP1.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine?
The IUPAC name of N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine (CID 59160683) is N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine.
What is the SMILES notation for N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine?
The canonical SMILES for N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine is C=CCOc1ncc(F)c(NOCC)n1.
What is the InChIKey of N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine?
The InChIKey is CKJKPSATXPZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-3-5-14-9-11-6-7(10)8(12-9)13-15-4-2/h3,6H,1,4-5H2,2H3,(H,11,12,13).
What are the key properties of N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine?
N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine has a molecular weight of 213.21 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-fluoro-2-prop-2-enoxypyrimidin-4-amine is sourced from PubChem (CID 59160683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).