4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine

C26H19FN6O — CID 134158009

IUPAC4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine
SMILESFc1cc(Nc2cc(Nc3ccccc3)ncn2)ccc1Oc1ccncc1-c1cccnc1
InChIInChI=1S/C26H19FN6O/c27-22-13-20(33-26-14-25(30-17-31-26)32-19-6-2-1-3-7-19)8-9-24(22)34-23-10-12-29-16-21(23)18-5-4-11-28-15-18/h1-17H,(H2,30,31,32,33)
InChIKeyBFRWONSPZYNBJS-UHFFFAOYSA-N
MW450.48 g/mol
LogP6.35
Rot. Bonds7

About 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine

4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 134158009) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine
PubChem CID134158009
Molecular FormulaC26H19FN6O
Molecular Weight450.48 g/mol
Exact Mass450.16
IUPAC Name4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine
SMILESFc1cc(Nc2cc(Nc3ccccc3)ncn2)ccc1Oc1ccncc1-c1cccnc1
InChIInChI=1S/C26H19FN6O/c27-22-13-20(33-26-14-25(30-17-31-26)32-19-6-2-1-3-7-19)8-9-24(22)34-23-10-12-29-16-21(23)18-5-4-11-28-15-18/h1-17H,(H2,30,31,32,33)
InChIKeyBFRWONSPZYNBJS-UHFFFAOYSA-N
XLogP6.35
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine (CID 134158009) is 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine is Fc1cc(Nc2cc(Nc3ccccc3)ncn2)ccc1Oc1ccncc1-c1cccnc1.
What is the InChIKey of 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is BFRWONSPZYNBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c27-22-13-20(33-26-14-25(30-17-31-26)32-19-6-2-1-3-7-19)8-9-24(22)34-23-10-12-29-16-21(23)18-5-4-11-28-15-18/h1-17H,(H2,30,31,32,33).
What are the key properties of 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine?
4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 450.48 g/mol, XLogP of 6.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-fluoro-4-[(3-pyridin-3-yl-4-pyridinyl)oxy]phenyl]-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 134158009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).