[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine

C12H11BrN6S — CID 106716157

IUPAC[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
SMILESCn1cc(-c2cc(NN)nc(-c3ccc(Br)s3)n2)cn1
InChIInChI=1S/C12H11BrN6S/c1-19-6-7(5-15-19)8-4-11(18-14)17-12(16-8)9-2-3-10(13)20-9/h2-6H,14H2,1H3,(H,16,17,18)
InChIKeyNJSJBWDLGXZGHD-UHFFFAOYSA-N
MW351.23 g/mol
LogP2.65
Rot. Bonds3

About [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine

[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 106716157) has the molecular formula C12H11BrN6S and a molecular weight of 351.23 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID106716157
Molecular FormulaC12H11BrN6S
Molecular Weight351.23 g/mol
Exact Mass349.99
IUPAC Name[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
SMILESCn1cc(-c2cc(NN)nc(-c3ccc(Br)s3)n2)cn1
InChIInChI=1S/C12H11BrN6S/c1-19-6-7(5-15-19)8-4-11(18-14)17-12(16-8)9-2-3-10(13)20-9/h2-6H,14H2,1H3,(H,16,17,18)
InChIKeyNJSJBWDLGXZGHD-UHFFFAOYSA-N
XLogP2.65
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716236
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
[2-(1-methylpyrazol-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716205
[6-(1-methylpyrazol-4-yl)-2-pyridin-4-ylpyrimidin-4-yl]hydrazine
CID 106716187
[2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-yl]hydrazine
CID 62251648
[6-(1-methylpyrazol-4-yl)-2-pyrazin-2-ylpyrimidin-4-yl]hydrazine
CID 106716096
[6-(1-methylpyrazol-4-yl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 106716230
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
[2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716181
[2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716226
[2-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716175
[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716130

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine (CID 106716157) is [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine is Cn1cc(-c2cc(NN)nc(-c3ccc(Br)s3)n2)cn1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is NJSJBWDLGXZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6S/c1-19-6-7(5-15-19)8-4-11(18-14)17-12(16-8)9-2-3-10(13)20-9/h2-6H,14H2,1H3,(H,16,17,18).
What are the key properties of [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 351.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106716157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).