2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C10H13N3S — CID 115025453

IUPAC2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1nc(C2CCSC2)nc2c1CNC2
InChIInChI=1S/C10H13N3S/c1-2-14-6-7(1)10-12-4-8-3-11-5-9(8)13-10/h4,7,11H,1-3,5-6H2
InChIKeyMUENNUVBVFJOTF-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.30
Rot. Bonds1

About 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 115025453) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID115025453
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESc1nc(C2CCSC2)nc2c1CNC2
InChIInChI=1S/C10H13N3S/c1-2-14-6-7(1)10-12-4-8-3-11-5-9(8)13-10/h4,7,11H,1-3,5-6H2
InChIKeyMUENNUVBVFJOTF-UHFFFAOYSA-N
XLogP1.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 115025453) is 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is c1nc(C2CCSC2)nc2c1CNC2.
What is the InChIKey of 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is MUENNUVBVFJOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-14-6-7(1)10-12-4-8-3-11-5-9(8)13-10/h4,7,11H,1-3,5-6H2.
What are the key properties of 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 207.30 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 115025453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).