1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea

C17H11F3N4O2 — CID 122302932

IUPAC1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H11F3N4O2/c18-10-5-11(19)7-12(6-10)23-16(25)24-13-8-21-17(22-9-13)26-15-4-2-1-3-14(15)20/h1-9H,(H2,23,24,25)
InChIKeyWBODFTVBCSKATQ-UHFFFAOYSA-N
MW360.30 g/mol
LogP4.33
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea

1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea (PubChem CID 122302932) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
PubChem CID122302932
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H11F3N4O2/c18-10-5-11(19)7-12(6-10)23-16(25)24-13-8-21-17(22-9-13)26-15-4-2-1-3-14(15)20/h1-9H,(H2,23,24,25)
InChIKeyWBODFTVBCSKATQ-UHFFFAOYSA-N
XLogP4.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 71799863
1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303190
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
CID 122303200
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302313
(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
CID 122303106
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122302986

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea (CID 122302932) is 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea is O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The InChIKey is WBODFTVBCSKATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-10-5-11(19)7-12(6-10)23-16(25)24-13-8-21-17(22-9-13)26-15-4-2-1-3-14(15)20/h1-9H,(H2,23,24,25).
What are the key properties of 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea has a molecular weight of 360.30 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea is sourced from PubChem (CID 122302932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).