N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C27H21F3N6 — CID 142125974

IUPACN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCC1N=C(Nc2nc(-c3ccncc3)nc(-c3ccccc3C(F)(F)F)n2)C=C1c1ccccc1
InChIInChI=1S/C27H21F3N6/c1-2-22-20(17-8-4-3-5-9-17)16-23(32-22)33-26-35-24(18-12-14-31-15-13-18)34-25(36-26)19-10-6-7-11-21(19)27(28,29)30/h3-16,22H,2H2,1H3,(H,32,33,34,35,36)
InChIKeyIZIWIEWIOOTVAV-UHFFFAOYSA-N
MW486.50 g/mol
LogP6.31
Rot. Bonds5

About N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 142125974) has the molecular formula C27H21F3N6 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID142125974
Molecular FormulaC27H21F3N6
Molecular Weight486.50 g/mol
Exact Mass486.18
IUPAC NameN-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCC1N=C(Nc2nc(-c3ccncc3)nc(-c3ccccc3C(F)(F)F)n2)C=C1c1ccccc1
InChIInChI=1S/C27H21F3N6/c1-2-22-20(17-8-4-3-5-9-17)16-23(32-22)33-26-35-24(18-12-14-31-15-13-18)34-25(36-26)19-10-6-7-11-21(19)27(28,29)30/h3-16,22H,2H2,1H3,(H,32,33,34,35,36)
InChIKeyIZIWIEWIOOTVAV-UHFFFAOYSA-N
XLogP6.31
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
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N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-6-methyl-2-phenylpyrimidin-4-amine
CID 147189090
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
2-amino-N'-[4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]benzenecarboximidamide
CID 161136601
N-(3-ethyl-6-fluoro-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162548998
2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide
CID 2730673
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CID 142126258
N-(3-ethyl-4-fluoro-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 142128188
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080597
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 142125974) is N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CCC1N=C(Nc2nc(-c3ccncc3)nc(-c3ccccc3C(F)(F)F)n2)C=C1c1ccccc1.
What is the InChIKey of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is IZIWIEWIOOTVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N6/c1-2-22-20(17-8-4-3-5-9-17)16-23(32-22)33-26-35-24(18-12-14-31-15-13-18)34-25(36-26)19-10-6-7-11-21(19)27(28,29)30/h3-16,22H,2H2,1H3,(H,32,33,34,35,36).
What are the key properties of N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 486.50 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-phenyl-2H-pyrrol-5-yl)-4-pyridin-4-yl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 142125974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).