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

C13H18N6O2S — CID 19137000

IUPACN'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(N(C)C)c2N)cc1
InChIInChI=1S/C13H18N6O2S/c1-9-4-6-10(7-5-9)22(20,21)18-17-12-11(14)13(19(2)3)16-8-15-12/h4-8,18H,14H2,1-3H3,(H,15,16,17)
InChIKeyRYSPIQKOGDZHHA-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.74
Rot. Bonds5

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

N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (PubChem CID 19137000) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
PubChem CID19137000
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(N(C)C)c2N)cc1
InChIInChI=1S/C13H18N6O2S/c1-9-4-6-10(7-5-9)22(20,21)18-17-12-11(14)13(19(2)3)16-8-15-12/h4-8,18H,14H2,1-3H3,(H,15,16,17)
InChIKeyRYSPIQKOGDZHHA-UHFFFAOYSA-N
XLogP0.74
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.74
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-(N-methylanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19144510
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22540338
N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19150282
N'-[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152107
N'-[5-amino-6-(butan-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152143
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-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19146999
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 19150636
N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
CID 19152106
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151296
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19147120

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (CID 19137000) is N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ncnc(N(C)C)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The InChIKey is RYSPIQKOGDZHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-9-4-6-10(7-5-9)22(20,21)18-17-12-11(14)13(19(2)3)16-8-15-12/h4-8,18H,14H2,1-3H3,(H,15,16,17).
What are the key properties of N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide has a molecular weight of 322.39 g/mol, XLogP of 0.74, 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-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 19137000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).