4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine

C16H12F2N4O — CID 59852945

IUPAC4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine
SMILESNc1ccc(Oc2ccnc(Nc3ccc(F)cc3)n2)c(F)c1
InChIInChI=1S/C16H12F2N4O/c17-10-1-4-12(5-2-10)21-16-20-8-7-15(22-16)23-14-6-3-11(19)9-13(14)18/h1-9H,19H2,(H,20,21,22)
InChIKeyYNCXREUGOOEKDG-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.87
Rot. Bonds4

About 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine

4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 59852945) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine
PubChem CID59852945
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine
SMILESNc1ccc(Oc2ccnc(Nc3ccc(F)cc3)n2)c(F)c1
InChIInChI=1S/C16H12F2N4O/c17-10-1-4-12(5-2-10)21-16-20-8-7-15(22-16)23-14-6-3-11(19)9-13(14)18/h1-9H,19H2,(H,20,21,22)
InChIKeyYNCXREUGOOEKDG-UHFFFAOYSA-N
XLogP3.87
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,4-difluorophenoxy)pyrimidin-2-yl]hydrazine
CID 80917292
3-[[4-(4-amino-2-fluorophenoxy)pyrimidin-2-yl]amino]propan-1-ol
CID 67524050
4-[[4-(2-fluorophenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 155526389
1-N'-[3-fluoro-4-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90644955
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
CID 63214957
1-N'-[3-fluoro-4-[2-(3-methoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90644959
4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
CID 56575483
4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 56575580
4-(4-fluorophenoxy)-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine
CID 133398012
N-[4-(2,5-difluorophenoxy)pyrimidin-2-yl]acetamide
CID 141320406
N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine
CID 90004941
2-[5-chloro-6-[2-(4-fluoroanilino)pyrimidin-4-yl]oxy-1-benzofuran-3-yl]acetonitrile
CID 10069236

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine (CID 59852945) is 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine is Nc1ccc(Oc2ccnc(Nc3ccc(F)cc3)n2)c(F)c1.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is YNCXREUGOOEKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-10-1-4-12(5-2-10)21-16-20-8-7-15(22-16)23-14-6-3-11(19)9-13(14)18/h1-9H,19H2,(H,20,21,22).
What are the key properties of 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine?
4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 314.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)-N-(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 59852945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).