4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine

C16H19F6N5 — CID 170639634

IUPAC4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESN/C=C(\C=N\CC(F)(F)F)c1nc(NC2CCCCC2)ncc1C(F)(F)F
InChIInChI=1S/C16H19F6N5/c17-15(18,19)9-24-7-10(6-23)13-12(16(20,21)22)8-25-14(27-13)26-11-4-2-1-3-5-11/h6-8,11H,1-5,9,23H2,(H,25,26,27)/b10-6+,24-7+
InChIKeyGBHGVICTBAMJQI-HHGZEVLSSA-N
MW395.35 g/mol
LogP4.17
Rot. Bonds5

About 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine

4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 170639634) has the molecular formula C16H19F6N5 and a molecular weight of 395.35 g/mol. Its IUPAC name is 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID170639634
Molecular FormulaC16H19F6N5
Molecular Weight395.35 g/mol
Exact Mass395.15
IUPAC Name4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESN/C=C(\C=N\CC(F)(F)F)c1nc(NC2CCCCC2)ncc1C(F)(F)F
InChIInChI=1S/C16H19F6N5/c17-15(18,19)9-24-7-10(6-23)13-12(16(20,21)22)8-25-14(27-13)26-11-4-2-1-3-5-11/h6-8,11H,1-5,9,23H2,(H,25,26,27)/b10-6+,24-7+
InChIKeyGBHGVICTBAMJQI-HHGZEVLSSA-N
XLogP4.17
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 54.17
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

1-[[(E)-3-amino-2-[2-[4-(cyclohexylamino)sulfanyl-2-fluoroanilino]-5-(trifluoromethyl)pyrimidin-4-yl]prop-2-enylidene]amino]-2-methylpropan-2-ol
CID 177052713
4-chloro-N-cyclononyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 90706654
4-[4-[1-[[3-[4-[[4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylphenyl]methyl]piperidin-4-yl]anilino]-N-methyl-5-oxopentanamide
CID 170639534
1-[[(E)-3-amino-2-[2-[2-fluoro-4-[(R)-methylsulfinyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]prop-2-enylidene]amino]-2-methylpropan-2-ol
CID 177052584
1-[6-[1-[3-[3-[4-[[4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfinylphenyl]-2-methylpropyl]piperidin-4-yl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 170639455
2-N-cycloheptylpyrimidine-2,5-diamine
CID 61147383
4-[[4-[(1R,2S)-2-hydroxycycloheptyl]oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 167090231
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
propan-2-yl 2-methyl-N-[(E)-2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]prop-1-enyl]butanimidate
CID 169183736
N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 46238981
2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]oxycycloheptan-1-ol
CID 167090100
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250623

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine (CID 170639634) is 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine is N/C=C(\C=N\CC(F)(F)F)c1nc(NC2CCCCC2)ncc1C(F)(F)F.
What is the InChIKey of 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GBHGVICTBAMJQI-HHGZEVLSSA-N. The full InChI is InChI=1S/C16H19F6N5/c17-15(18,19)9-24-7-10(6-23)13-12(16(20,21)22)8-25-14(27-13)26-11-4-2-1-3-5-11/h6-8,11H,1-5,9,23H2,(H,25,26,27)/b10-6+,24-7+.
What are the key properties of 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine?
4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 395.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-N-cyclohexyl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 170639634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).