N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C13H13F3N4 — CID 154882630

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C13H13F3N4/c1-20(7-4-10-2-5-17-6-3-10)12-8-11(13(14,15)16)18-9-19-12/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyJGMKMHJIGAMYPM-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.57
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine

N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 154882630) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID154882630
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CCc1ccncc1)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C13H13F3N4/c1-20(7-4-10-2-5-17-6-3-10)12-8-11(13(14,15)16)18-9-19-12/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyJGMKMHJIGAMYPM-UHFFFAOYSA-N
XLogP2.57
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-tert-butyl-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861806
6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767255
4-N-methyl-6-N-(4-methylphenyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861821
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112861914
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112859168
4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861272
6-N-(4-methoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861859
6-N-(2,6-diethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861838
N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112861801
N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112861788
N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 110454688

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 154882630) is N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine is CN(CCc1ccncc1)c1cc(C(F)(F)F)ncn1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JGMKMHJIGAMYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-20(7-4-10-2-5-17-6-3-10)12-8-11(13(14,15)16)18-9-19-12/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 282.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 154882630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).