[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine

C10H11IN6 — CID 80968430

IUPAC[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(-n2cc(I)cn2)nc(C2CC2)n1
InChIInChI=1S/C10H11IN6/c11-7-4-13-17(5-7)9-3-8(16-12)14-10(15-9)6-1-2-6/h3-6H,1-2,12H2,(H,14,15,16)
InChIKeyJCVSLKDXPRFAGO-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.43
Rot. Bonds3

About [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80968430) has the molecular formula C10H11IN6 and a molecular weight of 342.14 g/mol. Its IUPAC name is [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80968430
Molecular FormulaC10H11IN6
Molecular Weight342.14 g/mol
Exact Mass342.01
IUPAC Name[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(-n2cc(I)cn2)nc(C2CC2)n1
InChIInChI=1S/C10H11IN6/c11-7-4-13-17(5-7)9-3-8(16-12)14-10(15-9)6-1-2-6/h3-6H,1-2,12H2,(H,14,15,16)
InChIKeyJCVSLKDXPRFAGO-UHFFFAOYSA-N
XLogP1.43
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(4-chloropyrazol-1-yl)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80968944
2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine
CID 80966267
2-cyclopropyl-4-(4-iodopyrazol-1-yl)-1H-pyrimidin-6-one
CID 136979494
(2-cyclopropyl-6-indazol-1-ylpyrimidin-4-yl)hydrazine
CID 80968413
2-cyclopropyl-N-ethyl-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80965817
(2-cyclopropyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 80968466
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol
CID 80968717
6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966016
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399597
[2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80969657
[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80969166

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine (CID 80968430) is [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine is NNc1cc(-n2cc(I)cn2)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is JCVSLKDXPRFAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN6/c11-7-4-13-17(5-7)9-3-8(16-12)14-10(15-9)6-1-2-6/h3-6H,1-2,12H2,(H,14,15,16).
What are the key properties of [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 342.14 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80968430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).