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

C19H17F2N5O2 — CID 89165320

IUPAC1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea
SMILESNc1cccc(COc2ncc(F)c(NC(=O)NCc3ccccc3F)n2)c1
InChIInChI=1S/C19H17F2N5O2/c20-15-7-2-1-5-13(15)9-23-18(27)25-17-16(21)10-24-19(26-17)28-11-12-4-3-6-14(22)8-12/h1-8,10H,9,11,22H2,(H2,23,24,25,26,27)
InChIKeyFMZVIYGAHBKDMI-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.24
Rot. Bonds6

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

1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 89165320) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID89165320
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea
SMILESNc1cccc(COc2ncc(F)c(NC(=O)NCc3ccccc3F)n2)c1
InChIInChI=1S/C19H17F2N5O2/c20-15-7-2-1-5-13(15)9-23-18(27)25-17-16(21)10-24-19(26-17)28-11-12-4-3-6-14(22)8-12/h1-8,10H,9,11,22H2,(H2,23,24,25,26,27)
InChIKeyFMZVIYGAHBKDMI-UHFFFAOYSA-N
XLogP3.24
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.24
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)methyl]urea?
The IUPAC name of 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea (CID 89165320) is 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea is Nc1cccc(COc2ncc(F)c(NC(=O)NCc3ccccc3F)n2)c1.
What is the InChIKey of 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is FMZVIYGAHBKDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c20-15-7-2-1-5-13(15)9-23-18(27)25-17-16(21)10-24-19(26-17)28-11-12-4-3-6-14(22)8-12/h1-8,10H,9,11,22H2,(H2,23,24,25,26,27).
What are the key properties of 1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea?
1-[2-[(3-aminophenyl)methoxy]-5-fluoropyrimidin-4-yl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 385.37 g/mol, XLogP of 3.24, 6 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)methyl]urea is sourced from PubChem (CID 89165320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).