5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine

C16H12FN3O — CID 80864930

IUPAC5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H12FN3O/c17-14-10-19-16(18)20-15(14)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20)
InChIKeyPOIVDNMAPGLNSP-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.66
Rot. Bonds3

About 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine

5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine (PubChem CID 80864930) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine
PubChem CID80864930
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H12FN3O/c17-14-10-19-16(18)20-15(14)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20)
InChIKeyPOIVDNMAPGLNSP-UHFFFAOYSA-N
XLogP3.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80864784
2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
CID 79081506
4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
CID 80862564
4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881412
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
6-phenoxyquinazolin-2-amine
CID 151514344
5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
CID 80869770
4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine
CID 60726811
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887
4-cyclopentyloxy-5-fluoropyrimidin-2-amine
CID 80861467
4-(3-bromo-4-fluorophenoxy)-5-chloropyrimidin-2-amine
CID 83238470

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine (CID 80864930) is 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine is Nc1ncc(F)c(Oc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine?
The InChIKey is POIVDNMAPGLNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-14-10-19-16(18)20-15(14)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,18,19,20).
What are the key properties of 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine?
5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine has a molecular weight of 281.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80864930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).