2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C19H13F3N4 — CID 90835999

IUPAC2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-5-3-11(4-6-14)16-10-17(23)26-18(25-16)13-2-1-12-7-8-24-15(12)9-13/h1-10,24H,(H2,23,25,26)
InChIKeyPTPIHYKTJZBQDF-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.89
Rot. Bonds2

About 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 90835999) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID90835999
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-5-3-11(4-6-14)16-10-17(23)26-18(25-16)13-2-1-12-7-8-24-15(12)9-13/h1-10,24H,(H2,23,25,26)
InChIKeyPTPIHYKTJZBQDF-UHFFFAOYSA-N
XLogP4.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119008310
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
CID 90905265
6-pyridin-4-yl-1H-indole
CID 46315865
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
2,6-difluoro-4-(1H-indol-6-yl)aniline
CID 19803477
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716909
6-(1H-indol-6-yl)-5-methylpyridazin-3-amine
CID 170605331
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
7-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxamide
CID 174789762

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 90835999) is 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Nc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is PTPIHYKTJZBQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)14-5-3-11(4-6-14)16-10-17(23)26-18(25-16)13-2-1-12-7-8-24-15(12)9-13/h1-10,24H,(H2,23,25,26).
What are the key properties of 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 354.34 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-6-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 90835999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).