2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile

C8H5F3N4 — CID 118902713

IUPAC2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)nc2c1CCN2
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-14-5(3-12)4-1-2-13-6(4)15-7/h1-2H2,(H,13,14,15)
InChIKeyGFABKMRWOAJPSX-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.34
Rot. Bonds

About 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile

2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile (PubChem CID 118902713) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
PubChem CID118902713
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(C(F)(F)F)nc2c1CCN2
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-14-5(3-12)4-1-2-13-6(4)15-7/h1-2H2,(H,13,14,15)
InChIKeyGFABKMRWOAJPSX-UHFFFAOYSA-N
XLogP1.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile?
The IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile (CID 118902713) is 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile is N#Cc1nc(C(F)(F)F)nc2c1CCN2.
What is the InChIKey of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile?
The InChIKey is GFABKMRWOAJPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)7-14-5(3-12)4-1-2-13-6(4)15-7/h1-2H2,(H,13,14,15).
What are the key properties of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile?
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile has a molecular weight of 214.15 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile is sourced from PubChem (CID 118902713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).