[5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane

C18H19Cl2N5S — CID 142245227

IUPAC[5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane
SMILESCC.CSc1nc(NN)c(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)n1
InChIInChI=1S/C16H13Cl2N5S.C2H6/c1-24-16-21-14(9-4-6-20-7-5-9)13(15(22-16)23-19)10-2-3-11(17)12(18)8-10;1-2/h2-8H,19H2,1H3,(H,21,22,23);1-2H3
InChIKeyBXNOIXOFADCKCH-UHFFFAOYSA-N
MW408.36 g/mol
LogP5.55
Rot. Bonds4

About [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane

[5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane (PubChem CID 142245227) has the molecular formula C18H19Cl2N5S and a molecular weight of 408.36 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane
PubChem CID142245227
Molecular FormulaC18H19Cl2N5S
Molecular Weight408.36 g/mol
Exact Mass407.07
IUPAC Name[5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane
SMILESCC.CSc1nc(NN)c(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)n1
InChIInChI=1S/C16H13Cl2N5S.C2H6/c1-24-16-21-14(9-4-6-20-7-5-9)13(15(22-16)23-19)10-2-3-11(17)12(18)8-10;1-2/h2-8H,19H2,1H3,(H,21,22,23);1-2H3
InChIKeyBXNOIXOFADCKCH-UHFFFAOYSA-N
XLogP5.55
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.36
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 20816924
(2-methylsulfanyl-5-phenyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 13393631
(3,4-dichlorophenyl)hydrazine;ethane
CID 143531721
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
5-bromo-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 54605390
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 82298713
5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine
CID 69344212
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
4-(3,4-dichlorophenyl)-6-(3-fluorophenyl)-2-pyridin-4-ylpyrimidine
CID 5297690
N-(3,4-dichlorophenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 134113531

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane?
The IUPAC name of [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane (CID 142245227) is [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane.
What is the SMILES notation for [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane?
The canonical SMILES for [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane is CC.CSc1nc(NN)c(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)n1.
What is the InChIKey of [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane?
The InChIKey is BXNOIXOFADCKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5S.C2H6/c1-24-16-21-14(9-4-6-20-7-5-9)13(15(22-16)23-19)10-2-3-11(17)12(18)8-10;1-2/h2-8H,19H2,1H3,(H,21,22,23);1-2H3.
What are the key properties of [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane?
[5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane has a molecular weight of 408.36 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenyl)-2-methylsulfanyl-6-pyridin-4-ylpyrimidin-4-yl]hydrazine;ethane is sourced from PubChem (CID 142245227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).