5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine

C13H14FN3O — CID 171328588

IUPAC5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCOc1cccc(CN(C)c2ncc(F)cn2)c1
InChIInChI=1S/C13H14FN3O/c1-17(13-15-7-11(14)8-16-13)9-10-4-3-5-12(6-10)18-2/h3-8H,9H2,1-2H3
InChIKeyVPNUZTKPYDQEAK-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.26
Rot. Bonds4

About 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine

5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 171328588) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
PubChem CID171328588
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCOc1cccc(CN(C)c2ncc(F)cn2)c1
InChIInChI=1S/C13H14FN3O/c1-17(13-15-7-11(14)8-16-13)9-10-4-3-5-12(6-10)18-2/h3-8H,9H2,1-2H3
InChIKeyVPNUZTKPYDQEAK-UHFFFAOYSA-N
XLogP2.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 75469574
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 86780450
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 103583219
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine (CID 171328588) is 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine is COc1cccc(CN(C)c2ncc(F)cn2)c1.
What is the InChIKey of 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is VPNUZTKPYDQEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-17(13-15-7-11(14)8-16-13)9-10-4-3-5-12(6-10)18-2/h3-8H,9H2,1-2H3.
What are the key properties of 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine?
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 171328588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).