[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine

C10H13IN6 — CID 80903935

IUPAC[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1-n1cc(I)cn1
InChIInChI=1S/C10H13IN6/c1-6(2)8-9(16-12)13-5-14-10(8)17-4-7(11)3-15-17/h3-6H,12H2,1-2H3,(H,13,14,16)
InChIKeyOIFLXOCYDNOXQE-UHFFFAOYSA-N
MW344.16 g/mol
LogP1.68
Rot. Bonds3

About [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80903935) has the molecular formula C10H13IN6 and a molecular weight of 344.16 g/mol. Its IUPAC name is [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80903935
Molecular FormulaC10H13IN6
Molecular Weight344.16 g/mol
Exact Mass344.02
IUPAC Name[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1-n1cc(I)cn1
InChIInChI=1S/C10H13IN6/c1-6(2)8-9(16-12)13-5-14-10(8)17-4-7(11)3-15-17/h3-6H,12H2,1-2H3,(H,13,14,16)
InChIKeyOIFLXOCYDNOXQE-UHFFFAOYSA-N
XLogP1.68
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 51.68
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

[5-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80900555
6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80857417
(5-propan-2-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932530
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
6-(4-bromopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80853089
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80899759
2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83027639
7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine
CID 131187562
6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80841993
[5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80901558
4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 80930528

Frequently Asked Questions

What is the IUPAC name of [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80903935) is [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1c(NN)ncnc1-n1cc(I)cn1.
What is the InChIKey of [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is OIFLXOCYDNOXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN6/c1-6(2)8-9(16-12)13-5-14-10(8)17-4-7(11)3-15-17/h3-6H,12H2,1-2H3,(H,13,14,16).
What are the key properties of [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 344.16 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80903935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).