N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

C17H24N6O2S — CID 19140352

IUPACN'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(N3CCC(C)CC3)c2N)cc1
InChIInChI=1S/C17H24N6O2S/c1-12-3-5-14(6-4-12)26(24,25)22-21-16-15(18)17(20-11-19-16)23-9-7-13(2)8-10-23/h3-6,11,13,22H,7-10,18H2,1-2H3,(H,19,20,21)
InChIKeyJOVVSYGXGLOGPD-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.91
Rot. Bonds5

About N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (PubChem CID 19140352) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
PubChem CID19140352
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(N3CCC(C)CC3)c2N)cc1
InChIInChI=1S/C17H24N6O2S/c1-12-3-5-14(6-4-12)26(24,25)22-21-16-15(18)17(20-11-19-16)23-9-7-13(2)8-10-23/h3-6,11,13,22H,7-10,18H2,1-2H3,(H,19,20,21)
InChIKeyJOVVSYGXGLOGPD-UHFFFAOYSA-N
XLogP1.91
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22540338
4-N-(2,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140271
N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19137000
N'-[5-amino-6-(butan-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152143
N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19150282
N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19146999
N'-[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152107
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19148920
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19147594
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 19150636
N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19140355
4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140396

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (CID 19140352) is N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ncnc(N3CCC(C)CC3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The InChIKey is JOVVSYGXGLOGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-12-3-5-14(6-4-12)26(24,25)22-21-16-15(18)17(20-11-19-16)23-9-7-13(2)8-10-23/h3-6,11,13,22H,7-10,18H2,1-2H3,(H,19,20,21).
What are the key properties of N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide has a molecular weight of 376.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 19140352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).