1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine

C13H14FN3O — CID 114045767

IUPAC1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ncnc(C)c1F
InChIInChI=1S/C13H14FN3O/c1-9-12(14)13(17-8-16-9)18-11-6-4-3-5-10(11)7-15-2/h3-6,8,15H,7H2,1-2H3
InChIKeyIGMKMZJJAMUQLO-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine

1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 114045767) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
PubChem CID114045767
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ncnc(C)c1F
InChIInChI=1S/C13H14FN3O/c1-9-12(14)13(17-8-16-9)18-11-6-4-3-5-10(11)7-15-2/h3-6,8,15H,7H2,1-2H3
InChIKeyIGMKMZJJAMUQLO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chloropyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485504
5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine
CID 20595468
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630
N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
CID 106485491
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189072
1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 116689944
1-[2-(6-ethoxy-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485522

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine (CID 114045767) is 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ncnc(C)c1F.
What is the InChIKey of 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is IGMKMZJJAMUQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-12(14)13(17-8-16-9)18-11-6-4-3-5-10(11)7-15-2/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine?
1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 247.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 114045767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).