6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide

C14H17N5OS — CID 106909697

IUPAC6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESCc1nc(SCc2cccc(C(=O)NN)n2)nc(C)c1C
InChIInChI=1S/C14H17N5OS/c1-8-9(2)16-14(17-10(8)3)21-7-11-5-4-6-12(18-11)13(20)19-15/h4-6H,7,15H2,1-3H3,(H,19,20)
InChIKeyJCZYMLDDODRKAG-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.69
Rot. Bonds4

About 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide

6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide (PubChem CID 106909697) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
PubChem CID106909697
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESCc1nc(SCc2cccc(C(=O)NN)n2)nc(C)c1C
InChIInChI=1S/C14H17N5OS/c1-8-9(2)16-14(17-10(8)3)21-7-11-5-4-6-12(18-11)13(20)19-15/h4-6H,7,15H2,1-3H3,(H,19,20)
InChIKeyJCZYMLDDODRKAG-UHFFFAOYSA-N
XLogP1.69
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909643
6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909676
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660
6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909598
6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909693
6-[(4-nitrophenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909631
6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909719
6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909718
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903513
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180
6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
CID 106909203

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide (CID 106909697) is 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide is Cc1nc(SCc2cccc(C(=O)NN)n2)nc(C)c1C.
What is the InChIKey of 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
The InChIKey is JCZYMLDDODRKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-8-9(2)16-14(17-10(8)3)21-7-11-5-4-6-12(18-11)13(20)19-15/h4-6H,7,15H2,1-3H3,(H,19,20).
What are the key properties of 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide?
6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide has a molecular weight of 303.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).