6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C19H13F3N4O — CID 42635811

IUPAC6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-c3cccc4[nH]ccc34)ncn2)cc1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26)
InChIKeyWHXMNERCRMKGIM-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.27
Rot. Bonds4

About 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 42635811) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID42635811
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-c3cccc4[nH]ccc34)ncn2)cc1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26)
InChIKeyWHXMNERCRMKGIM-UHFFFAOYSA-N
XLogP5.27
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Retelliptine
CID 68913
Meriolin 3
CID 23727981
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
1,3-Propanediamine, N,N-diethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 149478
6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-1-((3-(dimethylamino)propyl)amino)-9-methoxy-, ethanol
CID 153726
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
Rwj-68354
CID 9819053
Type II inhibitor, 5
CID 16061468
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 42635811) is 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2cc(-c3cccc4[nH]ccc34)ncn2)cc1.
What is the InChIKey of 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is WHXMNERCRMKGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26).
What are the key properties of 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 370.33 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 42635811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).