2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride

C7H10ClN3O2S — CID 131847253

IUPAC2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCS(=O)(=O)c1ncc2c(n1)CNC2.Cl
InChIInChI=1S/C7H9N3O2S.ClH/c1-13(11,12)7-9-3-5-2-8-4-6(5)10-7;/h3,8H,2,4H2,1H3;1H
InChIKeyZRZVBCYRWCXFLP-UHFFFAOYSA-N
MW235.70 g/mol
LogP-0.09
Rot. Bonds1

About 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride

2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 131847253) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
PubChem CID131847253
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCS(=O)(=O)c1ncc2c(n1)CNC2.Cl
InChIInChI=1S/C7H9N3O2S.ClH/c1-13(11,12)7-9-3-5-2-8-4-6(5)10-7;/h3,8H,2,4H2,1H3;1H
InChIKeyZRZVBCYRWCXFLP-UHFFFAOYSA-N
XLogP-0.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (CID 131847253) is 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is CS(=O)(=O)c1ncc2c(n1)CNC2.Cl.
What is the InChIKey of 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is ZRZVBCYRWCXFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S.ClH/c1-13(11,12)7-9-3-5-2-8-4-6(5)10-7;/h3,8H,2,4H2,1H3;1H.
What are the key properties of 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 235.70 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 131847253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).