N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

C16H17N7O2S — CID 19146999

IUPACN'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccccn3)c2N)cc1
InChIInChI=1S/C16H17N7O2S/c1-11-5-7-12(8-6-11)26(24,25)23-22-16-14(17)15(19-10-20-16)21-13-4-2-3-9-18-13/h2-10,23H,17H2,1H3,(H2,18,19,20,21,22)
InChIKeyARJWXUSFTXDKPB-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.81
Rot. Bonds6

About N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (PubChem CID 19146999) has the molecular formula C16H17N7O2S and a molecular weight of 371.43 g/mol. Its IUPAC name is N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
PubChem CID19146999
Molecular FormulaC16H17N7O2S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC NameN'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccccn3)c2N)cc1
InChIInChI=1S/C16H17N7O2S/c1-11-5-7-12(8-6-11)26(24,25)23-22-16-14(17)15(19-10-20-16)21-13-4-2-3-9-18-13/h2-10,23H,17H2,1H3,(H2,18,19,20,21,22)
InChIKeyARJWXUSFTXDKPB-UHFFFAOYSA-N
XLogP1.81
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
N-(cyclohexylmethyl)-N-(1H-imidazol-4-ylmethyl)-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 483315
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CID 118716417
4-(1-Pyrimidin-5-yl-4,5-dihydroimidazol-2-yl)benzenesulfonamide
CID 145952940
4-methyl-N-{2-[(pyridin-2-ylamino)methyl]phenyl}benzenesulfonamide
CID 1147309
4-[(4-Pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347151
3-[(4-Pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
3-[(4-Pyridin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347158
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]naphthalene-2-sulfonamide
CID 57399592
US9156811, Ddd87763
CID 58561340
N-methyl-3-[[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 67348787
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (CID 19146999) is N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccccn3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The InChIKey is ARJWXUSFTXDKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S/c1-11-5-7-12(8-6-11)26(24,25)23-22-16-14(17)15(19-10-20-16)21-13-4-2-3-9-18-13/h2-10,23H,17H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide has a molecular weight of 371.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 19146999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).