N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H11F3N4 — CID 155187420

IUPACN-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1c[nH]c2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C14H11F3N4/c15-14(16,17)10-7-19-13-11(10)12(20-8-21-13)18-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,18,19,20,21)
InChIKeyGLBCJTDKQMHWNW-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.59
Rot. Bonds3

About N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155187420) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155187420
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC NameN-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1c[nH]c2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C14H11F3N4/c15-14(16,17)10-7-19-13-11(10)12(20-8-21-13)18-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,18,19,20,21)
InChIKeyGLBCJTDKQMHWNW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 155187420) is N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(F)c1c[nH]c2ncnc(NCc3ccccc3)c12.
What is the InChIKey of N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GLBCJTDKQMHWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)10-7-19-13-11(10)12(20-8-21-13)18-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,18,19,20,21).
What are the key properties of N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 292.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155187420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).