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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Related Compounds

4,5-Dimethylpyrimidine
CID 572516
2-Methyl-4-(trifluoromethyl)pyrimidine
CID 10103447
2-Chloro-4,5-dimethylpyrimidine
CID 12581784
5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride
CID 44182365
2-chloro-5H,6H,7H-pyrrolo(3,4-d)pyrimidine hydrochloride
CID 71302509
2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
(4-(Difluoromethyl)pyrimidin-2-yl)methanamine hydrochloride
CID 119031436
5,6-Bis(trifluoromethyl)pyrimidine
CID 91164711
4,5-Dimethylpyrimidin-2-amine
CID 231290
2,4,5-Trimethylpyrimidine
CID 21034539
4-(Trifluoromethyl)-5-methylpyrimidin-2-amine
CID 10773633
2,4-Dimethylpyrimidine-5-carbonitrile
CID 268595

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).