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

C13H9F3N4 — CID 57096235

IUPACN-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C13H9F3N4/c14-13(15,16)9-3-1-2-4-10(9)20-12-8-5-6-17-11(8)18-7-19-12/h1-7H,(H2,17,18,19,20)
InChIKeyBAHCKUPXJUQKFH-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.72
Rot. Bonds2

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

N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 57096235) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID57096235
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC NameN-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C13H9F3N4/c14-13(15,16)9-3-1-2-4-10(9)20-12-8-5-6-17-11(8)18-7-19-12/h1-7H,(H2,17,18,19,20)
InChIKeyBAHCKUPXJUQKFH-UHFFFAOYSA-N
XLogP3.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 57096235) is N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(F)c1ccccc1Nc1ncnc2[nH]ccc12.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BAHCKUPXJUQKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)9-3-1-2-4-10(9)20-12-8-5-6-17-11(8)18-7-19-12/h1-7H,(H2,17,18,19,20).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 278.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57096235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).