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

C14H17BrN4S — CID 66145462

IUPAC[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(CSc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4S/c1-2-5-10-8-13(19-16)18-14(17-10)9-20-12-7-4-3-6-11(12)15/h3-4,6-8H,2,5,9,16H2,1H3,(H,17,18,19)
InChIKeyIXFKJFUEYCRGPP-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.77
Rot. Bonds6

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

[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 66145462) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
PubChem CID66145462
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(CSc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN4S/c1-2-5-10-8-13(19-16)18-14(17-10)9-20-12-7-4-3-6-11(12)15/h3-4,6-8H,2,5,9,16H2,1H3,(H,17,18,19)
InChIKeyIXFKJFUEYCRGPP-UHFFFAOYSA-N
XLogP3.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.77
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

[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
[2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66143033
[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66146870
[2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine
CID 62252742
[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65141294
[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 62717068
[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66097189
(2-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 79413062
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
CID 62252370
[6-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65127690
6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine (CID 66145462) is [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(CSc2ccccc2Br)n1.
What is the InChIKey of [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is IXFKJFUEYCRGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c1-2-5-10-8-13(19-16)18-14(17-10)9-20-12-7-4-3-6-11(12)15/h3-4,6-8H,2,5,9,16H2,1H3,(H,17,18,19).
What are the key properties of [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine?
[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 353.29 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).