[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine

C14H17BrN4S — CID 81000328

IUPAC[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Sc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN4S/c1-8(2)12-17-13(19-16)9(3)14(18-12)20-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyPLDUAFKOLNQJFX-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.11
Rot. Bonds4

About [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 81000328) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID81000328
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)C)nc1Sc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN4S/c1-8(2)12-17-13(19-16)9(3)14(18-12)20-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyPLDUAFKOLNQJFX-UHFFFAOYSA-N
XLogP4.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.11
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-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80996244
[6-(2-methoxyphenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001108
[6-(2,4-difluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000644
[5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 106928843
(5-methyl-2-propan-2-yl-6-pyrazin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 81001859
[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81000228
5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991093
N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80994887
(6-bromo-2-propan-2-ylquinazolin-4-yl)hydrazine
CID 106583906
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001299
[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80995930
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 81000328) is [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C(C)C)nc1Sc1ccc(Br)cc1.
What is the InChIKey of [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is PLDUAFKOLNQJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c1-8(2)12-17-13(19-16)9(3)14(18-12)20-11-6-4-10(15)5-7-11/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 353.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81000328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).