N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide

C17H16N6OS — CID 19149909

IUPACN'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCc1ccc(Sc2ncnc(NNC(=O)c3cccnc3)c2N)cc1
InChIInChI=1S/C17H16N6OS/c1-11-4-6-13(7-5-11)25-17-14(18)15(20-10-21-17)22-23-16(24)12-3-2-8-19-9-12/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyQQYRTYDYDGWUFW-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.67
Rot. Bonds5

About N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19149909) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19149909
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC NameN'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCc1ccc(Sc2ncnc(NNC(=O)c3cccnc3)c2N)cc1
InChIInChI=1S/C17H16N6OS/c1-11-4-6-13(7-5-11)25-17-14(18)15(20-10-21-17)22-23-16(24)12-3-2-8-19-9-12/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyQQYRTYDYDGWUFW-UHFFFAOYSA-N
XLogP2.67
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.67
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-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-bromobenzohydrazide
CID 19149902
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135674
N'-[5-amino-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19144647
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-4-methylbenzohydrazide
CID 19150789
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19149623
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19149909) is N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide is Cc1ccc(Sc2ncnc(NNC(=O)c3cccnc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is QQYRTYDYDGWUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-11-4-6-13(7-5-11)25-17-14(18)15(20-10-21-17)22-23-16(24)12-3-2-8-19-9-12/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 352.42 g/mol, XLogP of 2.67, 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-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19149909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).