1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea

C17H12F2N4O2 — CID 122302313

IUPAC1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)Nc1c(F)cccc1F
InChIInChI=1S/C17H12F2N4O2/c18-13-7-4-8-14(19)15(13)23-16(24)22-11-9-20-17(21-10-11)25-12-5-2-1-3-6-12/h1-10H,(H2,22,23,24)
InChIKeyXCUQAGUPTYJQQU-UHFFFAOYSA-N
MW342.31 g/mol
LogP4.19
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea

1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea (PubChem CID 122302313) has the molecular formula C17H12F2N4O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
PubChem CID122302313
Molecular FormulaC17H12F2N4O2
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
SMILESO=C(Nc1cnc(Oc2ccccc2)nc1)Nc1c(F)cccc1F
InChIInChI=1S/C17H12F2N4O2/c18-13-7-4-8-14(19)15(13)23-16(24)22-11-9-20-17(21-10-11)25-12-5-2-1-3-6-12/h1-10H,(H2,22,23,24)
InChIKeyXCUQAGUPTYJQQU-UHFFFAOYSA-N
XLogP4.19
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302267
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 71799863
1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302256
1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303190
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea (CID 122302313) is 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea is O=C(Nc1cnc(Oc2ccccc2)nc1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
The InChIKey is XCUQAGUPTYJQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2/c18-13-7-4-8-14(19)15(13)23-16(24)22-11-9-20-17(21-10-11)25-12-5-2-1-3-6-12/h1-10H,(H2,22,23,24).
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea?
1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea has a molecular weight of 342.31 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea is sourced from PubChem (CID 122302313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).