[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine

C11H10Cl2N4S — CID 80929193

IUPAC[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4S/c1-6-5-15-11(17-14)16-10(6)18-7-2-3-8(12)9(13)4-7/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyURATUCUZXWYDJF-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.53
Rot. Bonds3

About [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine

[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 80929193) has the molecular formula C11H10Cl2N4S and a molecular weight of 301.20 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
PubChem CID80929193
Molecular FormulaC11H10Cl2N4S
Molecular Weight301.20 g/mol
Exact Mass300.00
IUPAC Name[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4S/c1-6-5-15-11(17-14)16-10(6)18-7-2-3-8(12)9(13)4-7/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyURATUCUZXWYDJF-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

[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
CID 80929995
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80927318
[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
CID 80924960
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-methylpyrimidin-2-yl]hydrazine
CID 106928882
2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine
CID 114044360
[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 102927134
4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80892674
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine (CID 80929193) is [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine is Cc1cnc(NN)nc1Sc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is URATUCUZXWYDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4S/c1-6-5-15-11(17-14)16-10(6)18-7-2-3-8(12)9(13)4-7/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine?
[4-(3,4-dichlorophenyl)sulfanyl-5-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-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80929193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).