4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine

C18H16FN3O — CID 75359861

IUPAC4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine
SMILESCCOc1ccc(-c2cc(-c3cccc(F)c3)nc(N)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-2-23-15-8-6-12(7-9-15)16-11-17(22-18(20)21-16)13-4-3-5-14(19)10-13/h3-11H,2H2,1H3,(H2,20,21,22)
InChIKeyBJHNPESNEFMJQL-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.93
Rot. Bonds4

About 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine

4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine (PubChem CID 75359861) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine
PubChem CID75359861
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine
SMILESCCOc1ccc(-c2cc(-c3cccc(F)c3)nc(N)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-2-23-15-8-6-12(7-9-15)16-11-17(22-18(20)21-16)13-4-3-5-14(19)10-13/h3-11H,2H2,1H3,(H2,20,21,22)
InChIKeyBJHNPESNEFMJQL-UHFFFAOYSA-N
XLogP3.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine (CID 75359861) is 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine is CCOc1ccc(-c2cc(-c3cccc(F)c3)nc(N)n2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine?
The InChIKey is BJHNPESNEFMJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-2-23-15-8-6-12(7-9-15)16-11-17(22-18(20)21-16)13-4-3-5-14(19)10-13/h3-11H,2H2,1H3,(H2,20,21,22).
What are the key properties of 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine?
4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine has a molecular weight of 309.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-6-(3-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 75359861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).