4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C19H13F3N4 — CID 45270882

IUPAC4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
InChIKeyMFDANRLNPBAUHU-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.89
Rot. Bonds2

About 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 45270882) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID45270882
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
InChIKeyMFDANRLNPBAUHU-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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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 45270882) is 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is MFDANRLNPBAUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26).
What are the key properties of 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-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 4-(1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 45270882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).