1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea

C17H13FN4O2 — CID 71799859

IUPAC1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C17H13FN4O2/c18-14-8-4-5-9-15(14)24-17-19-10-13(11-20-17)22-16(23)21-12-6-2-1-3-7-12/h1-11H,(H2,21,22,23)
InChIKeyCUEDUVPWOMMZFN-UHFFFAOYSA-N
MW324.32 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea

1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea (PubChem CID 71799859) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
PubChem CID71799859
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C17H13FN4O2/c18-14-8-4-5-9-15(14)24-17-19-10-13(11-20-17)22-16(23)21-12-6-2-1-3-7-12/h1-11H,(H2,21,22,23)
InChIKeyCUEDUVPWOMMZFN-UHFFFAOYSA-N
XLogP4.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932
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-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303190
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
1-(2,6-difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302313
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
(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
CID 122303106
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea?
The IUPAC name of 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea (CID 71799859) is 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cnc(Oc2ccccc2F)nc1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea?
The InChIKey is CUEDUVPWOMMZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-14-8-4-5-9-15(14)24-17-19-10-13(11-20-17)22-16(23)21-12-6-2-1-3-7-12/h1-11H,(H2,21,22,23).
What are the key properties of 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea?
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea has a molecular weight of 324.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea is sourced from PubChem (CID 71799859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).