N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

C19H22N6O2S — CID 19150282

IUPACN'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(CNc2ncnc(NNS(=O)(=O)c3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C19H22N6O2S/c1-13-3-7-15(8-4-13)11-21-18-17(20)19(23-12-22-18)24-25-28(26,27)16-9-5-14(2)6-10-16/h3-10,12,25H,11,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyUJMLYYYTURVOTE-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.59
Rot. Bonds7

About N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (PubChem CID 19150282) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
PubChem CID19150282
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(CNc2ncnc(NNS(=O)(=O)c3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C19H22N6O2S/c1-13-3-7-15(8-4-13)11-21-18-17(20)19(23-12-22-18)24-25-28(26,27)16-9-5-14(2)6-10-16/h3-10,12,25H,11,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyUJMLYYYTURVOTE-UHFFFAOYSA-N
XLogP2.59
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.59
H-Bond Donors ≤ 54
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
N'-[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152107
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-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
CID 19152106
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19148920
N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19146999
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-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19147120
N'-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19144510
N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22543946

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (CID 19150282) is N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is Cc1ccc(CNc2ncnc(NNS(=O)(=O)c3ccc(C)cc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The InChIKey is UJMLYYYTURVOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-13-3-7-15(8-4-13)11-21-18-17(20)19(23-12-22-18)24-25-28(26,27)16-9-5-14(2)6-10-16/h3-10,12,25H,11,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide has a molecular weight of 398.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 19150282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).