4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C11H15N5O3S — CID 53298850

IUPAC4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCS(=O)(=O)N1CCN(c2ncnc3c2CC(=O)N3)CC1
InChIInChI=1S/C11H15N5O3S/c1-20(18,19)16-4-2-15(3-5-16)11-8-6-9(17)14-10(8)12-7-13-11/h7H,2-6H2,1H3,(H,12,13,14,17)
InChIKeyQGFKZFADLARIMH-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.95
Rot. Bonds2

About 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 53298850) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID53298850
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCS(=O)(=O)N1CCN(c2ncnc3c2CC(=O)N3)CC1
InChIInChI=1S/C11H15N5O3S/c1-20(18,19)16-4-2-15(3-5-16)11-8-6-9(17)14-10(8)12-7-13-11/h7H,2-6H2,1H3,(H,12,13,14,17)
InChIKeyQGFKZFADLARIMH-UHFFFAOYSA-N
XLogP-0.95
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 53298850) is 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CS(=O)(=O)N1CCN(c2ncnc3c2CC(=O)N3)CC1.
What is the InChIKey of 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is QGFKZFADLARIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-20(18,19)16-4-2-15(3-5-16)11-8-6-9(17)14-10(8)12-7-13-11/h7H,2-6H2,1H3,(H,12,13,14,17).
What are the key properties of 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 297.34 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 53298850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).