1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C13H13F2N3O — CID 83189380

IUPAC1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2cccc(F)c2F)nc1C
InChIInChI=1S/C13H13F2N3O/c1-8-9(6-16-2)7-17-13(18-8)19-11-5-3-4-10(14)12(11)15/h3-5,7,16H,6H2,1-2H3
InChIKeyJWPUQLBLLIQBRV-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83189380) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83189380
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2cccc(F)c2F)nc1C
InChIInChI=1S/C13H13F2N3O/c1-8-9(6-16-2)7-17-13(18-8)19-11-5-3-4-10(14)12(11)15/h3-5,7,16H,6H2,1-2H3
InChIKeyJWPUQLBLLIQBRV-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189072
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
1-[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83188917
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630
1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185420
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine
CID 113388358
N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189385
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63036962
5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
CID 107088439
1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83189380) is 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(Oc2cccc(F)c2F)nc1C.
What is the InChIKey of 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is JWPUQLBLLIQBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8-9(6-16-2)7-17-13(18-8)19-11-5-3-4-10(14)12(11)15/h3-5,7,16H,6H2,1-2H3.
What are the key properties of 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 265.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83189380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).