N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H10F6N6 — CID 126537588

IUPACN-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccncc3C(F)(F)F)c3cc[nH]c3n2)n1
InChIInChI=1S/C18H10F6N6/c19-17(20,21)10-8-25-6-5-11(10)28-15-9-4-7-26-14(9)29-16(30-15)12-2-1-3-13(27-12)18(22,23)24/h1-8H,(H2,25,26,28,29,30)
InChIKeyGWUXHFBCMMMNTF-UHFFFAOYSA-N
MW424.31 g/mol
LogP5.20
Rot. Bonds3

About N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 126537588) has the molecular formula C18H10F6N6 and a molecular weight of 424.31 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID126537588
Molecular FormulaC18H10F6N6
Molecular Weight424.31 g/mol
Exact Mass424.09
IUPAC NameN-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccncc3C(F)(F)F)c3cc[nH]c3n2)n1
InChIInChI=1S/C18H10F6N6/c19-17(20,21)10-8-25-6-5-11(10)28-15-9-4-7-26-14(9)29-16(30-15)12-2-1-3-13(27-12)18(22,23)24/h1-8H,(H2,25,26,28,29,30)
InChIKeyGWUXHFBCMMMNTF-UHFFFAOYSA-N
XLogP5.20
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.31
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]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

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 126537588) is N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cccc(-c2nc(Nc3ccncc3C(F)(F)F)c3cc[nH]c3n2)n1.
What is the InChIKey of N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GWUXHFBCMMMNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N6/c19-17(20,21)10-8-25-6-5-11(10)28-15-9-4-7-26-14(9)29-16(30-15)12-2-1-3-13(27-12)18(22,23)24/h1-8H,(H2,25,26,28,29,30).
What are the key properties of N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 424.31 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126537588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).