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

C9H9F3N4 — CID 151906166

IUPACN-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCNc1ncnc2[nH]cc(C(F)(F)F)c12
InChIInChI=1S/C9H9F3N4/c1-2-13-7-6-5(9(10,11)12)3-14-8(6)16-4-15-7/h3-4H,2H2,1H3,(H2,13,14,15,16)
InChIKeySTTZVFBTNPQMNN-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.41
Rot. Bonds2

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

N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 151906166) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID151906166
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC NameN-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCNc1ncnc2[nH]cc(C(F)(F)F)c12
InChIInChI=1S/C9H9F3N4/c1-2-13-7-6-5(9(10,11)12)3-14-8(6)16-4-15-7/h3-4H,2H2,1H3,(H2,13,14,15,16)
InChIKeySTTZVFBTNPQMNN-UHFFFAOYSA-N
XLogP2.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 151906166) is N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCNc1ncnc2[nH]cc(C(F)(F)F)c12.
What is the InChIKey of N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is STTZVFBTNPQMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-2-13-7-6-5(9(10,11)12)3-14-8(6)16-4-15-7/h3-4H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 230.19 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 151906166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).