4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine

C13H12FN3O — CID 741056

IUPAC4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
SMILESC=CCc1ccccc1Oc1cc(F)nc(N)n1
InChIInChI=1S/C13H12FN3O/c1-2-5-9-6-3-4-7-10(9)18-12-8-11(14)16-13(15)17-12/h2-4,6-8H,1,5H2,(H2,15,16,17)
InChIKeyHDAPZDITMDANFK-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.72
Rot. Bonds4

About 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine

4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine (PubChem CID 741056) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
PubChem CID741056
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
SMILESC=CCc1ccccc1Oc1cc(F)nc(N)n1
InChIInChI=1S/C13H12FN3O/c1-2-5-9-6-3-4-7-10(9)18-12-8-11(14)16-13(15)17-12/h2-4,6-8H,1,5H2,(H2,15,16,17)
InChIKeyHDAPZDITMDANFK-UHFFFAOYSA-N
XLogP2.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine (CID 741056) is 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine is C=CCc1ccccc1Oc1cc(F)nc(N)n1.
What is the InChIKey of 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine?
The InChIKey is HDAPZDITMDANFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-2-5-9-6-3-4-7-10(9)18-12-8-11(14)16-13(15)17-12/h2-4,6-8H,1,5H2,(H2,15,16,17).
What are the key properties of 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine?
4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine has a molecular weight of 245.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 741056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).