4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide

C15H20N6O3S — CID 135484580

IUPAC4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide
SMILESCc1nc(N)[nH]c(=O)c1N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H20N6O3S/c1-10-13(14(22)19-15(16)18-10)21-8-6-20(7-9-21)11-2-4-12(5-3-11)25(17,23)24/h2-5H,6-9H2,1H3,(H2,17,23,24)(H3,16,18,19,22)
InChIKeyNLJRUQFYYPJNMZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP-0.37
Rot. Bonds3

About 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide

4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide (PubChem CID 135484580) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide
PubChem CID135484580
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide
SMILESCc1nc(N)[nH]c(=O)c1N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C15H20N6O3S/c1-10-13(14(22)19-15(16)18-10)21-8-6-20(7-9-21)11-2-4-12(5-3-11)25(17,23)24/h2-5H,6-9H2,1H3,(H2,17,23,24)(H3,16,18,19,22)
InChIKeyNLJRUQFYYPJNMZ-UHFFFAOYSA-N
XLogP-0.37
TPSA138.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide (CID 135484580) is 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide is Cc1nc(N)[nH]c(=O)c1N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is NLJRUQFYYPJNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-10-13(14(22)19-15(16)18-10)21-8-6-20(7-9-21)11-2-4-12(5-3-11)25(17,23)24/h2-5H,6-9H2,1H3,(H2,17,23,24)(H3,16,18,19,22).
What are the key properties of 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide?
4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 135484580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).