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

C14H16N6S — CID 106716236

IUPAC[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1ccc(-c2nc(NN)cc(-c3cnn(C)c3)n2)s1
InChIInChI=1S/C14H16N6S/c1-3-10-4-5-12(21-10)14-17-11(6-13(18-14)19-15)9-7-16-20(2)8-9/h4-8H,3,15H2,1-2H3,(H,17,18,19)
InChIKeyVGJRMZQQZWUUHH-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.45
Rot. Bonds4

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

[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 106716236) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID106716236
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1ccc(-c2nc(NN)cc(-c3cnn(C)c3)n2)s1
InChIInChI=1S/C14H16N6S/c1-3-10-4-5-12(21-10)14-17-11(6-13(18-14)19-15)9-7-16-20(2)8-9/h4-8H,3,15H2,1-2H3,(H,17,18,19)
InChIKeyVGJRMZQQZWUUHH-UHFFFAOYSA-N
XLogP2.45
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.45
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-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716157
[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine
CID 63354738
[2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716181
[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
[2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716226
[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-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716130

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine (CID 106716236) is [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine is CCc1ccc(-c2nc(NN)cc(-c3cnn(C)c3)n2)s1.
What is the InChIKey of [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is VGJRMZQQZWUUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-3-10-4-5-12(21-10)14-17-11(6-13(18-14)19-15)9-7-16-20(2)8-9/h4-8H,3,15H2,1-2H3,(H,17,18,19).
What are the key properties of [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 300.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106716236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).