N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid

C10H13F3N4O4S — CID 175030888

IUPACN,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(C)S(=O)(=O)c1ncc2c(n1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H12N4O2S.C2HF3O2/c1-12(2)15(13,14)8-10-4-6-3-9-5-7(6)11-8;3-2(4,5)1(6)7/h4,9H,3,5H2,1-2H3;(H,6,7)
InChIKeyPZNRBMAMEKZNNK-UHFFFAOYSA-N
MW342.30 g/mol
LogP-0.04
Rot. Bonds2

About N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 175030888) has the molecular formula C10H13F3N4O4S and a molecular weight of 342.30 g/mol. Its IUPAC name is N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID175030888
Molecular FormulaC10H13F3N4O4S
Molecular Weight342.30 g/mol
Exact Mass342.06
IUPAC NameN,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(C)S(=O)(=O)c1ncc2c(n1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H12N4O2S.C2HF3O2/c1-12(2)15(13,14)8-10-4-6-3-9-5-7(6)11-8;3-2(4,5)1(6)7/h4,9H,3,5H2,1-2H3;(H,6,7)
InChIKeyPZNRBMAMEKZNNK-UHFFFAOYSA-N
XLogP-0.04
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid (CID 175030888) is N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid is CN(C)S(=O)(=O)c1ncc2c(n1)CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is PZNRBMAMEKZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S.C2HF3O2/c1-12(2)15(13,14)8-10-4-6-3-9-5-7(6)11-8;3-2(4,5)1(6)7/h4,9H,3,5H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 342.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175030888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).