1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine

C13H14FN3O — CID 82769619

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1ncccn1)c1cc(F)ccc1OC
InChIInChI=1S/C13H14FN3O/c1-15-12(13-16-6-3-7-17-13)10-8-9(14)4-5-11(10)18-2/h3-8,12,15H,1-2H3
InChIKeyPPFVDIUTMIOLRK-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.93
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (PubChem CID 82769619) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
PubChem CID82769619
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1ncccn1)c1cc(F)ccc1OC
InChIInChI=1S/C13H14FN3O/c1-15-12(13-16-6-3-7-17-13)10-8-9(14)4-5-11(10)18-2/h3-8,12,15H,1-2H3
InChIKeyPPFVDIUTMIOLRK-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 62791218
1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485651
1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485716
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696
N-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]ethanamine
CID 82770974
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
1-(2,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485698
1-(5-fluoro-2-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142477
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105176576
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902455
[(2-methoxy-5-methylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203659

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (CID 82769619) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is CNC(c1ncccn1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is PPFVDIUTMIOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-15-12(13-16-6-3-7-17-13)10-8-9(14)4-5-11(10)18-2/h3-8,12,15H,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine has a molecular weight of 247.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 82769619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).