2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine

C7H4F3N3 — CID 162552845

IUPAC2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CN=C2
InChIInChI=1S/C7H4F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h1-2H,3H2
InChIKeyFUNSTWCWXZIRBB-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.43
Rot. Bonds

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

2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine (PubChem CID 162552845) has the molecular formula C7H4F3N3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
PubChem CID162552845
Molecular FormulaC7H4F3N3
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CN=C2
InChIInChI=1S/C7H4F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h1-2H,3H2
InChIKeyFUNSTWCWXZIRBB-UHFFFAOYSA-N
XLogP1.43
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine (CID 162552845) is 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine is FC(F)(F)c1ncc2c(n1)CN=C2.
What is the InChIKey of 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is FUNSTWCWXZIRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h1-2H,3H2.
What are the key properties of 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine?
2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 187.12 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 162552845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).