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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968
1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea
CID 175962958
(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80700899
1-[(2-fluorophenyl)methyl]-3-[6-(4-fluorophenyl)-2-pyridinyl]urea
CID 11566276
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
[2-[(4-acetamido-5-fluoropyrimidin-2-yl)oxymethyl]phenyl] methanimidate
CID 118312325
benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91434682

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).