5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C14H11F3N4 — CID 155799174

IUPAC5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CNc1ncc(-c2cccc3cc[nH]c23)cn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)8-21-13-19-6-10(7-20-13)11-3-1-2-9-4-5-18-12(9)11/h1-7,18H,8H2,(H,19,20,21)
InChIKeyINOZBAIUKBEWTB-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.60
Rot. Bonds3

About 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 155799174) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID155799174
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CNc1ncc(-c2cccc3cc[nH]c23)cn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)8-21-13-19-6-10(7-20-13)11-3-1-2-9-4-5-18-12(9)11/h1-7,18H,8H2,(H,19,20,21)
InChIKeyINOZBAIUKBEWTB-UHFFFAOYSA-N
XLogP3.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-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

7-pyrimidin-5-yl-1H-indole
CID 155804260
5-(4-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 155798386
7-[3-(trifluoromethoxy)phenyl]-1H-indole
CID 59107903
7-[6-[6-(1H-indol-7-yl)-2-pyridinyl]-2-pyridinyl]-1H-indole
CID 145302463
7-(3,4-difluorophenyl)-1H-indole
CID 154814930
7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine
CID 170450705
7-(3-chlorophenyl)-1H-indole
CID 22049184
7-[6-[3-(5-tert-butyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-1H-indole
CID 140854213
5-nitro-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 61147355
N-(1H-indol-7-ylmethyl)-3,5-bis(trifluoromethyl)aniline
CID 162548025
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
CID 164566293
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one
CID 146146742

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 155799174) is 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is FC(F)(F)CNc1ncc(-c2cccc3cc[nH]c23)cn1.
What is the InChIKey of 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is INOZBAIUKBEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)8-21-13-19-6-10(7-20-13)11-3-1-2-9-4-5-18-12(9)11/h1-7,18H,8H2,(H,19,20,21).
What are the key properties of 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 292.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 155799174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).