5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine

C24H21FN4O — CID 23000423

IUPAC5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1cccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)c1
InChIInChI=1S/C24H21FN4O/c1-30-21-4-2-3-17(15-21)9-14-27-24-28-16-22(18-5-7-20(25)8-6-18)23(29-24)19-10-12-26-13-11-19/h2-8,10-13,15-16H,9,14H2,1H3,(H,27,28,29)
InChIKeyGCJQPTUOPLERKD-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.01
Rot. Bonds7

About 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine

5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 23000423) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID23000423
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOc1cccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)c1
InChIInChI=1S/C24H21FN4O/c1-30-21-4-2-3-17(15-21)9-14-27-24-28-16-22(18-5-7-20(25)8-6-18)23(29-24)19-10-12-26-13-11-19/h2-8,10-13,15-16H,9,14H2,1H3,(H,27,28,29)
InChIKeyGCJQPTUOPLERKD-UHFFFAOYSA-N
XLogP5.01
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine (CID 23000423) is 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine is COc1cccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is GCJQPTUOPLERKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-30-21-4-2-3-17(15-21)9-14-27-24-28-16-22(18-5-7-20(25)8-6-18)23(29-24)19-10-12-26-13-11-19/h2-8,10-13,15-16H,9,14H2,1H3,(H,27,28,29).
What are the key properties of 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine?
5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 400.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 23000423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).