[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine

C13H15BrN4S — CID 80947692

IUPAC[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN4S/c1-2-4-11-16-12(18-15)8-13(17-11)19-10-6-3-5-9(14)7-10/h3,5-8H,2,4,15H2,1H3,(H,16,17,18)
InChIKeySRIICLIGWKMXRO-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.63
Rot. Bonds5

About [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine

[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 80947692) has the molecular formula C13H15BrN4S and a molecular weight of 339.26 g/mol. Its IUPAC name is [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
PubChem CID80947692
Molecular FormulaC13H15BrN4S
Molecular Weight339.26 g/mol
Exact Mass338.02
IUPAC Name[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN4S/c1-2-4-11-16-12(18-15)8-13(17-11)19-10-6-3-5-9(14)7-10/h3,5-8H,2,4,15H2,1H3,(H,16,17,18)
InChIKeySRIICLIGWKMXRO-UHFFFAOYSA-N
XLogP3.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.63
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

[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80929840
(2-propyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80947503
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946886
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
[6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80943848
[6-(2-methylpropylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947009
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine (CID 80947692) is [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)cc(Sc2cccc(Br)c2)n1.
What is the InChIKey of [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is SRIICLIGWKMXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4S/c1-2-4-11-16-12(18-15)8-13(17-11)19-10-6-3-5-9(14)7-10/h3,5-8H,2,4,15H2,1H3,(H,16,17,18).
What are the key properties of [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine?
[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 339.26 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80947692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).