N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine

C13H13F2N3 — CID 62755684

IUPACN-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cc(F)cc(F)c2)nc1
InChIInChI=1S/C13H13F2N3/c1-2-16-6-9-7-17-13(18-8-9)10-3-11(14)5-12(15)4-10/h3-5,7-8,16H,2,6H2,1H3
InChIKeyGFPGURKIMYNJST-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.53
Rot. Bonds4

About N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 62755684) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID62755684
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC NameN-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cc(F)cc(F)c2)nc1
InChIInChI=1S/C13H13F2N3/c1-2-16-6-9-7-17-13(18-8-9)10-3-11(14)5-12(15)4-10/h3-5,7-8,16H,2,6H2,1H3
InChIKeyGFPGURKIMYNJST-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
CID 62757672
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103399703
N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
CID 62755323
N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65197584
N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62757497
4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
CID 136889396
5-ethyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 19818152
5-(2,6-difluoro-4-pentylphenyl)-2-(3,5-difluorophenyl)pyrimidine
CID 19380596
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine (CID 62755684) is N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(-c2cc(F)cc(F)c2)nc1.
What is the InChIKey of N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is GFPGURKIMYNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-2-16-6-9-7-17-13(18-8-9)10-3-11(14)5-12(15)4-10/h3-5,7-8,16H,2,6H2,1H3.
What are the key properties of N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 249.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 62755684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).