N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide

C16H16ClN7O2S — CID 19147120

IUPACN'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1
InChIInChI=1S/C16H16ClN7O2S/c1-10-2-5-12(6-3-10)27(25,26)24-23-16-14(18)15(20-9-21-16)22-13-7-4-11(17)8-19-13/h2-9,24H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyDPBZVAQAXWIFOW-UHFFFAOYSA-N
MW405.87 g/mol
LogP2.46
Rot. Bonds6

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

N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (PubChem CID 19147120) has the molecular formula C16H16ClN7O2S and a molecular weight of 405.87 g/mol. Its IUPAC name is N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
PubChem CID19147120
Molecular FormulaC16H16ClN7O2S
Molecular Weight405.87 g/mol
Exact Mass405.08
IUPAC NameN'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1
InChIInChI=1S/C16H16ClN7O2S/c1-10-2-5-12(6-3-10)27(25,26)24-23-16-14(18)15(20-9-21-16)22-13-7-4-11(17)8-19-13/h2-9,24H,18H2,1H3,(H2,19,20,21,22,23)
InChIKeyDPBZVAQAXWIFOW-UHFFFAOYSA-N
XLogP2.46
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.87
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19146999
4-methyl-N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536920
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-(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-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19150282
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077
N'-[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152107
N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22543946
N'-[5-amino-6-(butan-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19152143

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide (CID 19147120) is N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
The InChIKey is DPBZVAQAXWIFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O2S/c1-10-2-5-12(6-3-10)27(25,26)24-23-16-14(18)15(20-9-21-16)22-13-7-4-11(17)8-19-13/h2-9,24H,18H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide?
N'-[5-amino-6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide has a molecular weight of 405.87 g/mol, XLogP of 2.46, 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-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 19147120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).