1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea

C18H15F2N5O2 — CID 89165328

IUPAC1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea
SMILESNc1cccc(COc2ncc(F)c(NC(=O)Nc3ccccc3F)n2)c1
InChIInChI=1S/C18H15F2N5O2/c19-13-6-1-2-7-15(13)23-17(26)24-16-14(20)9-22-18(25-16)27-10-11-4-3-5-12(21)8-11/h1-9H,10,21H2,(H2,22,23,24,25,26)
InChIKeyYVPGPKJNZYIQLO-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.56
Rot. Bonds5

About 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea

1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea (PubChem CID 89165328) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea
PubChem CID89165328
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea
SMILESNc1cccc(COc2ncc(F)c(NC(=O)Nc3ccccc3F)n2)c1
InChIInChI=1S/C18H15F2N5O2/c19-13-6-1-2-7-15(13)23-17(26)24-16-14(20)9-22-18(25-16)27-10-11-4-3-5-12(21)8-11/h1-9H,10,21H2,(H2,22,23,24,25,26)
InChIKeyYVPGPKJNZYIQLO-UHFFFAOYSA-N
XLogP3.56
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea (CID 89165328) is 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea is Nc1cccc(COc2ncc(F)c(NC(=O)Nc3ccccc3F)n2)c1.
What is the InChIKey of 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea?
The InChIKey is YVPGPKJNZYIQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c19-13-6-1-2-7-15(13)23-17(26)24-16-14(20)9-22-18(25-16)27-10-11-4-3-5-12(21)8-11/h1-9H,10,21H2,(H2,22,23,24,25,26).
What are the key properties of 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea?
1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea has a molecular weight of 371.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 89165328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).