6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C9H13N3O2S — CID 90585434

IUPAC6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)S(=O)(=O)N1Cc2cncnc2C1
InChIInChI=1S/C9H13N3O2S/c1-7(2)15(13,14)12-4-8-3-10-6-11-9(8)5-12/h3,6-7H,4-5H2,1-2H3
InChIKeyVLDPSCBWRHLGHP-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.53
Rot. Bonds2

About 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 90585434) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID90585434
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)S(=O)(=O)N1Cc2cncnc2C1
InChIInChI=1S/C9H13N3O2S/c1-7(2)15(13,14)12-4-8-3-10-6-11-9(8)5-12/h3,6-7H,4-5H2,1-2H3
InChIKeyVLDPSCBWRHLGHP-UHFFFAOYSA-N
XLogP0.53
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 90585434) is 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CC(C)S(=O)(=O)N1Cc2cncnc2C1.
What is the InChIKey of 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is VLDPSCBWRHLGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-7(2)15(13,14)12-4-8-3-10-6-11-9(8)5-12/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 227.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 90585434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).