N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide

C10H16N6O3S — CID 136906717

IUPACN'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
SMILESCS(=O)(=O)N1CCN(c2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C10H16N6O3S/c1-20(18,19)16-6-4-15(5-7-16)10-12-3-2-8(13-10)9(11)14-17/h2-3,17H,4-7H2,1H3,(H2,11,14)
InChIKeySUHNQJMOAGQNDH-UHFFFAOYSA-N
MW300.34 g/mol
LogP-1.35
Rot. Bonds3

About N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide

N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide (PubChem CID 136906717) has the molecular formula C10H16N6O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
PubChem CID136906717
Molecular FormulaC10H16N6O3S
Molecular Weight300.34 g/mol
Exact Mass300.10
IUPAC NameN'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
SMILESCS(=O)(=O)N1CCN(c2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C10H16N6O3S/c1-20(18,19)16-6-4-15(5-7-16)10-12-3-2-8(13-10)9(11)14-17/h2-3,17H,4-7H2,1H3,(H2,11,14)
InChIKeySUHNQJMOAGQNDH-UHFFFAOYSA-N
XLogP-1.35
TPSA125.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906689
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906728
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 136906998
2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906855
2-(2,2-dimethylthiomorpholin-4-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906933
2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 36615862
N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
CID 136906851
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
CID 136906849
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 173096124
1-methylsulfonyl-4-pyrimidin-2-yl-1,4-diazepane
CID 30397162

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide (CID 136906717) is N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide is CS(=O)(=O)N1CCN(c2nccc(/C(N)=N/O)n2)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is SUHNQJMOAGQNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3S/c1-20(18,19)16-6-4-15(5-7-16)10-12-3-2-8(13-10)9(11)14-17/h2-3,17H,4-7H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide?
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 300.34 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136906717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).