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

C12H10F3N3S — CID 114739900

IUPAC2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1nc(Cc2cccs2)nc2c1CNC2
InChIInChI=1S/C12H10F3N3S/c13-12(14,15)11-8-5-16-6-9(8)17-10(18-11)4-7-2-1-3-19-7/h1-3,16H,4-6H2
InChIKeyZCWPEEMGTDGNBY-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.75
Rot. Bonds2

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

2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739900) has the molecular formula C12H10F3N3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739900
Molecular FormulaC12H10F3N3S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1nc(Cc2cccs2)nc2c1CNC2
InChIInChI=1S/C12H10F3N3S/c13-12(14,15)11-8-5-16-6-9(8)17-10(18-11)4-7-2-1-3-19-7/h1-3,16H,4-6H2
InChIKeyZCWPEEMGTDGNBY-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]ethanamine
CID 114739949
2-methyl-4-[[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methyl]-1,3-thiazole
CID 114738010
2-(4-methylthiophen-3-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739932
2-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 66969843
[2-(thiophen-2-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201587
ethyl 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972564
2-(3,4-difluorophenyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739867
[2-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63351692
2-(2,2-dimethylpropyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742073
2-(1,4-dithian-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739947
2-(thian-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739878
2-(2-methoxypropan-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739972

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739900) is 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is FC(F)(F)c1nc(Cc2cccs2)nc2c1CNC2.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is ZCWPEEMGTDGNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3S/c13-12(14,15)11-8-5-16-6-9(8)17-10(18-11)4-7-2-1-3-19-7/h1-3,16H,4-6H2.
What are the key properties of 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 285.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).