[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine

C13H15ClN4S — CID 80921884

IUPAC[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1Sc1ccccc1Cl
InChIInChI=1S/C13H15ClN4S/c1-2-5-9-12(18-15)16-8-17-13(9)19-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18)
InChIKeyIHZLIPXXRVVPNO-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.52
Rot. Bonds5

About [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine

[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine (PubChem CID 80921884) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
PubChem CID80921884
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1c(NN)ncnc1Sc1ccccc1Cl
InChIInChI=1S/C13H15ClN4S/c1-2-5-9-12(18-15)16-8-17-13(9)19-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18)
InChIKeyIHZLIPXXRVVPNO-UHFFFAOYSA-N
XLogP3.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.52
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

N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80923227
[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine
CID 114793144
[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80929836
4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931194
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine
CID 80891436
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine (CID 80921884) is [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine is CCCc1c(NN)ncnc1Sc1ccccc1Cl.
What is the InChIKey of [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine?
The InChIKey is IHZLIPXXRVVPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-2-5-9-12(18-15)16-8-17-13(9)19-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18).
What are the key properties of [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine?
[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine has a molecular weight of 294.81 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80921884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).