5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

C9H14N4O4S — CID 82756475

IUPAC5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N4O4S/c1-6-4-10-2-3-13(6)18(16,17)7-5-11-9(15)12-8(7)14/h5-6,10H,2-4H2,1H3,(H2,11,12,14,15)/t6-/m1/s1
InChIKeyMDQFFSKURSECKE-ZCFIWIBFSA-N
MW274.30 g/mol
LogP-1.95
Rot. Bonds2

About 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 82756475) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID82756475
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESC[C@@H]1CNCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N4O4S/c1-6-4-10-2-3-13(6)18(16,17)7-5-11-9(15)12-8(7)14/h5-6,10H,2-4H2,1H3,(H2,11,12,14,15)/t6-/m1/s1
InChIKeyMDQFFSKURSECKE-ZCFIWIBFSA-N
XLogP-1.95
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (CID 82756475) is 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is C[C@@H]1CNCCN1S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is MDQFFSKURSECKE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-6-4-10-2-3-13(6)18(16,17)7-5-11-9(15)12-8(7)14/h5-6,10H,2-4H2,1H3,(H2,11,12,14,15)/t6-/m1/s1.
What are the key properties of 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 274.30 g/mol, XLogP of -1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 82756475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).