1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea

C20H19FN4O3 — CID 86870027

IUPAC1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
SMILESO=C(NCCCOc1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C20H19FN4O3/c21-15-3-7-17(8-4-15)27-14-2-13-22-19(26)25-16-5-9-18(10-6-16)28-20-23-11-1-12-24-20/h1,3-12H,2,13-14H2,(H2,22,25,26)
InChIKeyYUVSECFEKIWFDJ-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.00
Rot. Bonds8

About 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea

1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea (PubChem CID 86870027) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
PubChem CID86870027
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
SMILESO=C(NCCCOc1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C20H19FN4O3/c21-15-3-7-17(8-4-15)27-14-2-13-22-19(26)25-16-5-9-18(10-6-16)28-20-23-11-1-12-24-20/h1,3-12H,2,13-14H2,(H2,22,25,26)
InChIKeyYUVSECFEKIWFDJ-UHFFFAOYSA-N
XLogP4.00
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044694
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
CID 166219931
1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
CID 112970293
(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 47051327
1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60605473
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea (CID 86870027) is 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea is O=C(NCCCOc1ccc(F)cc1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea?
The InChIKey is YUVSECFEKIWFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-3-7-17(8-4-15)27-14-2-13-22-19(26)25-16-5-9-18(10-6-16)28-20-23-11-1-12-24-20/h1,3-12H,2,13-14H2,(H2,22,25,26).
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea?
1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea has a molecular weight of 382.40 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea is sourced from PubChem (CID 86870027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).