N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine

C14H11F5N4 — CID 167095431

IUPACN-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine
SMILESC=CNCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1C(F)F
InChIInChI=1S/C14H11F5N4/c1-2-20-4-8-3-11(21-7-10(8)12(15)16)9-5-22-13(23-6-9)14(17,18)19/h2-3,5-7,12,20H,1,4H2
InChIKeyYGCICNIVIDBPQZ-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.73
Rot. Bonds5

About N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine

N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine (PubChem CID 167095431) has the molecular formula C14H11F5N4 and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine
PubChem CID167095431
Molecular FormulaC14H11F5N4
Molecular Weight330.26 g/mol
Exact Mass330.09
IUPAC NameN-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine
SMILESC=CNCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1C(F)F
InChIInChI=1S/C14H11F5N4/c1-2-20-4-8-3-11(21-7-10(8)12(15)16)9-5-22-13(23-6-9)14(17,18)19/h2-3,5-7,12,20H,1,4H2
InChIKeyYGCICNIVIDBPQZ-UHFFFAOYSA-N
XLogP3.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-N-methylmethanamine
CID 162613421
N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]formamide
CID 122489027
N-[[5-hydroxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]formamide
CID 145136522
N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-5-methylpyrrolidine-2-carboxamide;hydrochloride
CID 140738793
(2S)-N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-1-methylpyrrolidine-2-carboxamide;1-fluoro-4-methylbenzene;formaldehyde
CID 145136426
2,5-dimethylpyrrolidine;N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]formamide
CID 145136742
[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol
CID 118008127
N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]carbamate
CID 154502435
4-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-3-carbaldehyde;ethane
CID 145136375
[5-methoxy-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine
CID 118008565
N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride
CID 154637108
(2S,4R)-N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-4-methylpyrrolidine-2-carboxamide
CID 122490218

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine?
The IUPAC name of N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine (CID 167095431) is N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine?
The canonical SMILES for N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine is C=CNCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine?
The InChIKey is YGCICNIVIDBPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N4/c1-2-20-4-8-3-11(21-7-10(8)12(15)16)9-5-22-13(23-6-9)14(17,18)19/h2-3,5-7,12,20H,1,4H2.
What are the key properties of N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine?
N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine has a molecular weight of 330.26 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]ethenamine is sourced from PubChem (CID 167095431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).