[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine

C11H10Cl2N4S — CID 80929995

IUPAC[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Sc2ccc(Cl)c(Cl)c2)nc(NN)n1
InChIInChI=1S/C11H10Cl2N4S/c1-6-4-10(16-11(15-6)17-14)18-7-2-3-8(12)9(13)5-7/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyPYSSAFZADOGXRA-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.53
Rot. Bonds3

About [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine

[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 80929995) has the molecular formula C11H10Cl2N4S and a molecular weight of 301.20 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
PubChem CID80929995
Molecular FormulaC11H10Cl2N4S
Molecular Weight301.20 g/mol
Exact Mass300.00
IUPAC Name[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Sc2ccc(Cl)c(Cl)c2)nc(NN)n1
InChIInChI=1S/C11H10Cl2N4S/c1-6-4-10(16-11(15-6)17-14)18-7-2-3-8(12)9(13)5-7/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyPYSSAFZADOGXRA-UHFFFAOYSA-N
XLogP3.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769905
[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
CID 80929193
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
[4-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923071
N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80926388
N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884550
[4-(2,5-dichlorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192453
tris((4,6-dimethylpyrimidin-2-yl)hydrazine);nickel(2+);diperchlorate
CID 71381414
[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830
2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925407
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine (CID 80929995) is [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(Sc2ccc(Cl)c(Cl)c2)nc(NN)n1.
What is the InChIKey of [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is PYSSAFZADOGXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4S/c1-6-4-10(16-11(15-6)17-14)18-7-2-3-8(12)9(13)5-7/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine?
[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 301.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80929995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).