4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide

C10H17N5O3S — CID 135427646

IUPAC4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide
SMILESCc1nc(C)c(N2CCN(S(N)(=O)=O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3S/c1-7-9(10(16)13-8(2)12-7)14-3-5-15(6-4-14)19(11,17)18/h3-6H2,1-2H3,(H2,11,17,18)(H,12,13,16)
InChIKeyQBHYVAWKFRUONU-UHFFFAOYSA-N
MW287.35 g/mol
LogP-1.29
Rot. Bonds2

About 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide

4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide (PubChem CID 135427646) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide
PubChem CID135427646
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide
SMILESCc1nc(C)c(N2CCN(S(N)(=O)=O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3S/c1-7-9(10(16)13-8(2)12-7)14-3-5-15(6-4-14)19(11,17)18/h3-6H2,1-2H3,(H2,11,17,18)(H,12,13,16)
InChIKeyQBHYVAWKFRUONU-UHFFFAOYSA-N
XLogP-1.29
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422862
4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid
CID 135401754
6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135406383
Ethyl 4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylate
CID 135406801
5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422761
6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135444495
6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol
CID 135450418
2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135481922
4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinesulfonamide
CID 135489788
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 60092752
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092907
2-(5-Amino-2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 142232660

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide (CID 135427646) is 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide is Cc1nc(C)c(N2CCN(S(N)(=O)=O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide?
The InChIKey is QBHYVAWKFRUONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-7-9(10(16)13-8(2)12-7)14-3-5-15(6-4-14)19(11,17)18/h3-6H2,1-2H3,(H2,11,17,18)(H,12,13,16).
What are the key properties of 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide?
4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide has a molecular weight of 287.35 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 135427646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).