[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

C14H15BrN4S — CID 81001755

IUPAC[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Sc1cccc(Br)c1
InChIInChI=1S/C14H15BrN4S/c1-8-12(19-16)17-13(9-5-6-9)18-14(8)20-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19)
InChIKeyNOPLFELIOKHRMM-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.86
Rot. Bonds4

About [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine

[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 81001755) has the molecular formula C14H15BrN4S and a molecular weight of 351.27 g/mol. Its IUPAC name is [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID81001755
Molecular FormulaC14H15BrN4S
Molecular Weight351.27 g/mol
Exact Mass350.02
IUPAC Name[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1Sc1cccc(Br)c1
InChIInChI=1S/C14H15BrN4S/c1-8-12(19-16)17-13(9-5-6-9)18-14(8)20-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19)
InChIKeyNOPLFELIOKHRMM-UHFFFAOYSA-N
XLogP3.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.86
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-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
CID 81000447
[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001101
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
2-cyclopropyl-N-(2,6-dibromophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107604844
(2-cyclopropyl-5-methyl-6-propylsulfanylpyrimidin-4-yl)hydrazine
CID 81000764
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 81000209
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80989965
6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006460

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine (CID 81001755) is [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C2CC2)nc1Sc1cccc(Br)c1.
What is the InChIKey of [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is NOPLFELIOKHRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4S/c1-8-12(19-16)17-13(9-5-6-9)18-14(8)20-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6,16H2,1H3,(H,17,18,19).
What are the key properties of [6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 351.27 g/mol, XLogP of 3.86, 4 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-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81001755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).