2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline

C20H16FN5O — CID 69436825

IUPAC2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline
SMILESCn1cc(-c2cc(Oc3ccc(F)c(Nc4ccccc4)c3)ncn2)cn1
InChIInChI=1S/C20H16FN5O/c1-26-12-14(11-24-26)18-10-20(23-13-22-18)27-16-7-8-17(21)19(9-16)25-15-5-3-2-4-6-15/h2-13,25H,1H3
InChIKeyUCANBKUBHDALOD-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.55
Rot. Bonds5

About 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline

2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline (PubChem CID 69436825) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline.

Molecular Properties

Compound Name2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline
PubChem CID69436825
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline
SMILESCn1cc(-c2cc(Oc3ccc(F)c(Nc4ccccc4)c3)ncn2)cn1
InChIInChI=1S/C20H16FN5O/c1-26-12-14(11-24-26)18-10-20(23-13-22-18)27-16-7-8-17(21)19(9-16)25-15-5-3-2-4-6-15/h2-13,25H,1H3
InChIKeyUCANBKUBHDALOD-UHFFFAOYSA-N
XLogP4.55
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 6539389
CID 6539389
CID 5329419
CID 5329419
CID 6539361
CID 6539361
CID 6539375
CID 6539375
CID 6539385
CID 6539385
CID 6539409
CID 6539409
CID 6539411
CID 6539411
CID 6539412
CID 6539412
CID 6539443
CID 6539443
CID 11163861
CID 11163861
CID 16456451
CID 16456451
CID 9604943
CID 9604943

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline?
The IUPAC name of 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline (CID 69436825) is 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline.
What is the SMILES notation for 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline?
The canonical SMILES for 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline is Cn1cc(-c2cc(Oc3ccc(F)c(Nc4ccccc4)c3)ncn2)cn1.
What is the InChIKey of 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline?
The InChIKey is UCANBKUBHDALOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-26-12-14(11-24-26)18-10-20(23-13-22-18)27-16-7-8-17(21)19(9-16)25-15-5-3-2-4-6-15/h2-13,25H,1H3.
What are the key properties of 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline?
2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline has a molecular weight of 361.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxy-N-phenylaniline is sourced from PubChem (CID 69436825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).