4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C12H19N5S — CID 117101493

IUPAC4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCSc1nc2c(c(N3CCN(C)CC3)n1)CNC2
InChIInChI=1S/C12H19N5S/c1-16-3-5-17(6-4-16)11-9-7-13-8-10(9)14-12(15-11)18-2/h13H,3-8H2,1-2H3
InChIKeyCYAOGHFWOSTBNW-UHFFFAOYSA-N
MW265.39 g/mol
LogP0.55
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 117101493) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID117101493
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCSc1nc2c(c(N3CCN(C)CC3)n1)CNC2
InChIInChI=1S/C12H19N5S/c1-16-3-5-17(6-4-16)11-9-7-13-8-10(9)14-12(15-11)18-2/h13H,3-8H2,1-2H3
InChIKeyCYAOGHFWOSTBNW-UHFFFAOYSA-N
XLogP0.55
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 117101493) is 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CSc1nc2c(c(N3CCN(C)CC3)n1)CNC2.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is CYAOGHFWOSTBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-16-3-5-17(6-4-16)11-9-7-13-8-10(9)14-12(15-11)18-2/h13H,3-8H2,1-2H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 265.39 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 117101493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).