N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide

C20H20N4OS — CID 42888617

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
SMILESCc1cc(C)nc(NNC(=O)C(Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H20N4OS/c1-14-13-15(2)22-20(21-14)24-23-19(25)18(16-9-5-3-6-10-16)26-17-11-7-4-8-12-17/h3-13,18H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHOWWMPWXKKQRBE-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.07
Rot. Bonds6

About N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide (PubChem CID 42888617) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
PubChem CID42888617
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
SMILESCc1cc(C)nc(NNC(=O)C(Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H20N4OS/c1-14-13-15(2)22-20(21-14)24-23-19(25)18(16-9-5-3-6-10-16)26-17-11-7-4-8-12-17/h3-13,18H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHOWWMPWXKKQRBE-UHFFFAOYSA-N
XLogP4.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 17381762
N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 23365771
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 6412172
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide
CID 7600611
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide (CID 42888617) is N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide is Cc1cc(C)nc(NNC(=O)C(Sc2ccccc2)c2ccccc2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide?
The InChIKey is HOWWMPWXKKQRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-14-13-15(2)22-20(21-14)24-23-19(25)18(16-9-5-3-6-10-16)26-17-11-7-4-8-12-17/h3-13,18H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide has a molecular weight of 364.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide is sourced from PubChem (CID 42888617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).