4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine

C22H16F2N4O — CID 133415948

IUPAC4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NC(c3cccc(F)c3)c3ccccn3)n2)cc1
InChIInChI=1S/C22H16F2N4O/c23-16-7-9-18(10-8-16)29-20-11-13-26-22(27-20)28-21(19-6-1-2-12-25-19)15-4-3-5-17(24)14-15/h1-14,21H,(H,26,27,28)
InChIKeyYKLRRBVLSWGQOQ-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.14
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine

4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine (PubChem CID 133415948) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine
PubChem CID133415948
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine
SMILESFc1ccc(Oc2ccnc(NC(c3cccc(F)c3)c3ccccn3)n2)cc1
InChIInChI=1S/C22H16F2N4O/c23-16-7-9-18(10-8-16)29-20-11-13-26-22(27-20)28-21(19-6-1-2-12-25-19)15-4-3-5-17(24)14-15/h1-14,21H,(H,26,27,28)
InChIKeyYKLRRBVLSWGQOQ-UHFFFAOYSA-N
XLogP5.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine (CID 133415948) is 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine is Fc1ccc(Oc2ccnc(NC(c3cccc(F)c3)c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine?
The InChIKey is YKLRRBVLSWGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c23-16-7-9-18(10-8-16)29-20-11-13-26-22(27-20)28-21(19-6-1-2-12-25-19)15-4-3-5-17(24)14-15/h1-14,21H,(H,26,27,28).
What are the key properties of 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine has a molecular weight of 390.39 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]pyrimidin-2-amine is sourced from PubChem (CID 133415948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).