N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide

C17H17N5O3S — CID 19152106

IUPACN'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Oc3ccccc3)c2N)cc1
InChIInChI=1S/C17H17N5O3S/c1-12-7-9-14(10-8-12)26(23,24)22-21-16-15(18)17(20-11-19-16)25-13-5-3-2-4-6-13/h2-11,22H,18H2,1H3,(H,19,20,21)
InChIKeyREWUUQYAMDMGLW-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.46
Rot. Bonds6

About N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide

N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide (PubChem CID 19152106) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
PubChem CID19152106
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Oc3ccccc3)c2N)cc1
InChIInChI=1S/C17H17N5O3S/c1-12-7-9-14(10-8-12)26(23,24)22-21-16-15(18)17(20-11-19-16)25-13-5-3-2-4-6-13/h2-11,22H,18H2,1H3,(H,19,20,21)
InChIKeyREWUUQYAMDMGLW-UHFFFAOYSA-N
XLogP2.46
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.46
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-(4-methylphenoxy)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152107
N'-[5-amino-6-(N-methylanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19144510
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 19150636
N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22543946
6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 19147718
N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19150282
4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144376
N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19146999
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22540338
N'-[5-amino-6-(dimethylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19137000
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151296
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19148920

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide (CID 19152106) is N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ncnc(Oc3ccccc3)c2N)cc1.
What is the InChIKey of N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide?
The InChIKey is REWUUQYAMDMGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-12-7-9-14(10-8-12)26(23,24)22-21-16-15(18)17(20-11-19-16)25-13-5-3-2-4-6-13/h2-11,22H,18H2,1H3,(H,19,20,21).
What are the key properties of N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide?
N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide has a molecular weight of 371.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-phenoxypyrimidin-4-yl)-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 19152106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).