4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C11H15N5O2S — CID 110873280

IUPAC4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCS(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)16-6-4-15(5-7-16)11-9-2-3-12-10(9)13-8-14-11/h2-3,8H,4-7H2,1H3,(H,12,13,14)
InChIKeyOXRMRZUTJVEEDA-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.04
Rot. Bonds2

About 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 110873280) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID110873280
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCS(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)16-6-4-15(5-7-16)11-9-2-3-12-10(9)13-8-14-11/h2-3,8H,4-7H2,1H3,(H,12,13,14)
InChIKeyOXRMRZUTJVEEDA-UHFFFAOYSA-N
XLogP0.04
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 110873280) is 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CS(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is OXRMRZUTJVEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-19(17,18)16-6-4-15(5-7-16)11-9-2-3-12-10(9)13-8-14-11/h2-3,8H,4-7H2,1H3,(H,12,13,14).
What are the key properties of 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 281.34 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110873280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).