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

C11H12FN3O — CID 57217288

IUPACN-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
SMILESFc1ccccc1CONC1=CNC=NC1
InChIInChI=1S/C11H12FN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-5,8,15H,6-7H2,(H,13,14)
InChIKeyHTDDKDSJRNEQFX-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.32
Rot. Bonds4

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

N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine (PubChem CID 57217288) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
PubChem CID57217288
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC NameN-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
SMILESFc1ccccc1CONC1=CNC=NC1
InChIInChI=1S/C11H12FN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-5,8,15H,6-7H2,(H,13,14)
InChIKeyHTDDKDSJRNEQFX-UHFFFAOYSA-N
XLogP1.32
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.32
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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Related Compounds

N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine
CID 57234280
N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide
CID 142101586
(Z)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 19370469
(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 23638738
N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 53868238
(E)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 19370468
N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
CID 57100584
N-phenylmethoxy-1,4-dihydropyrimidin-5-amine
CID 57185226
4-Phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine
CID 69088832
N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 73605607
N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine
CID 142650596
(Z)-N-[(2-fluorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 23638737

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine?
The IUPAC name of N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine (CID 57217288) is N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine?
The canonical SMILES for N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine is Fc1ccccc1CONC1=CNC=NC1.
What is the InChIKey of N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine?
The InChIKey is HTDDKDSJRNEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-5,8,15H,6-7H2,(H,13,14).
What are the key properties of N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine?
N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine has a molecular weight of 221.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine is sourced from PubChem (CID 57217288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).