N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine

C12H12F3N3O — CID 57234280

IUPACN-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine
SMILESFC(F)(F)c1ccccc1CONC1=CNC=NC1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)11-4-2-1-3-9(11)7-19-18-10-5-16-8-17-6-10/h1-5,8,18H,6-7H2,(H,16,17)
InChIKeyGGEZWWDHYNZCJM-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.20
Rot. Bonds4

About N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine

N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine (PubChem CID 57234280) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine
PubChem CID57234280
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine
SMILESFC(F)(F)c1ccccc1CONC1=CNC=NC1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)11-4-2-1-3-9(11)7-19-18-10-5-16-8-17-6-10/h1-5,8,18H,6-7H2,(H,16,17)
InChIKeyGGEZWWDHYNZCJM-UHFFFAOYSA-N
XLogP2.20
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine (CID 57234280) is N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine is FC(F)(F)c1ccccc1CONC1=CNC=NC1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine?
The InChIKey is GGEZWWDHYNZCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)11-4-2-1-3-9(11)7-19-18-10-5-16-8-17-6-10/h1-5,8,18H,6-7H2,(H,16,17).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine?
N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine has a molecular weight of 271.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine is sourced from PubChem (CID 57234280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).