N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine

C20H16F3N5 — CID 144929207

IUPACN-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine
SMILES[H]/N=C(\C(=C)Nc1cnc(C(F)(F)F)nc1)c1cc(-c2cccnc2)ccc1C
InChIInChI=1S/C20H16F3N5/c1-12-5-6-14(15-4-3-7-25-9-15)8-17(12)18(24)13(2)28-16-10-26-19(27-11-16)20(21,22)23/h3-11,24,28H,2H2,1H3/b24-18+
InChIKeyGDITXBFMVWAVSH-HKOYGPOVSA-N
MW383.38 g/mol
LogP4.86
Rot. Bonds5

About N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine

N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 144929207) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID144929207
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC NameN-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine
SMILES[H]/N=C(\C(=C)Nc1cnc(C(F)(F)F)nc1)c1cc(-c2cccnc2)ccc1C
InChIInChI=1S/C20H16F3N5/c1-12-5-6-14(15-4-3-7-25-9-15)8-17(12)18(24)13(2)28-16-10-26-19(27-11-16)20(21,22)23/h3-11,24,28H,2H2,1H3/b24-18+
InChIKeyGDITXBFMVWAVSH-HKOYGPOVSA-N
XLogP4.86
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-2-methylphenyl]-3-iminoprop-1-en-2-yl]-6-methylpyridin-3-amine
CID 144929350
6-methyl-N-[3-[2-(methylamino)-5-pyridin-3-ylphenyl]buta-1,3-dien-2-yl]pyridin-3-amine
CID 142333772
N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine
CID 142333605
1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
N-[3-imino-3-(5-isoquinolin-4-yl-2-methylphenyl)prop-1-en-2-yl]-2-methylcyclohexen-1-amine
CID 142077057
(2-methyl-5-pyridin-3-ylphenyl)hydrazine
CID 54381341
(2-methyl-5-pyridin-3-ylphenyl)methanol
CID 153475584
1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol
CID 144572461
N-hydroxy-4-[1-(2-methyl-N-propan-2-yl-4-pyridin-3-ylanilino)ethenylamino]benzamide
CID 134557942
N,N-dimethyl-2-(2-methyl-4-pyridin-3-ylphenyl)propan-2-amine
CID 91040072
3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
CID 174511445

Frequently Asked Questions

What is the IUPAC name of N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine (CID 144929207) is N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine is [H]/N=C(\C(=C)Nc1cnc(C(F)(F)F)nc1)c1cc(-c2cccnc2)ccc1C.
What is the InChIKey of N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is GDITXBFMVWAVSH-HKOYGPOVSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-12-5-6-14(15-4-3-7-25-9-15)8-17(12)18(24)13(2)28-16-10-26-19(27-11-16)20(21,22)23/h3-11,24,28H,2H2,1H3/b24-18+.
What are the key properties of N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine?
N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 383.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-imino-3-(2-methyl-5-pyridin-3-ylphenyl)prop-1-en-2-yl]-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 144929207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).