[4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine

C9H11FN6 — CID 80900364

IUPAC[4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESCCc1nccn1-c1nc(NN)ncc1F
InChIInChI=1S/C9H11FN6/c1-2-7-12-3-4-16(7)8-6(10)5-13-9(14-8)15-11/h3-5H,2,11H2,1H3,(H,13,14,15)
InChIKeyAFYOCOPBNQYTOK-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.65
Rot. Bonds3

About [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine

[4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 80900364) has the molecular formula C9H11FN6 and a molecular weight of 222.23 g/mol. Its IUPAC name is [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID80900364
Molecular FormulaC9H11FN6
Molecular Weight222.23 g/mol
Exact Mass222.10
IUPAC Name[4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESCCc1nccn1-c1nc(NN)ncc1F
InChIInChI=1S/C9H11FN6/c1-2-7-12-3-4-16(7)8-6(10)5-13-9(14-8)15-11/h3-5H,2,11H2,1H3,(H,13,14,15)
InChIKeyAFYOCOPBNQYTOK-UHFFFAOYSA-N
XLogP0.65
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-Imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130230
2-chloro-4-(2-methyl-1H-imidazol-1-yl)pyrimidine
CID 62343269
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
6-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-amine
CID 66520239
N-ethyl-6-(1H-imidazol-1-yl)pyrimidin-4-amine
CID 53015201
2-(2-Methyl-1H-imidazol-1-YL)pyrimidine
CID 11974107
5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
CID 75483060
5-fluoro-2-(4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl)pyrimidine
CID 121020774
N,N-dimethyl-2-[2-(propan-2-yl)-1H-imidazol-1-yl]pyrimidin-4-amine
CID 137966366
2-Chloro-5-fluoro-4-(2-methylimidazolyl)pyrimidine
CID 4461606
2-chloro-5-fluoro-4-(1H-imidazol-1-yl)pyrimidine
CID 10465351
2,4-Difluoro-6-imidazol-1-ylpyrimidine
CID 20814539

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine (CID 80900364) is [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine is CCc1nccn1-c1nc(NN)ncc1F.
What is the InChIKey of [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is AFYOCOPBNQYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6/c1-2-7-12-3-4-16(7)8-6(10)5-13-9(14-8)15-11/h3-5H,2,11H2,1H3,(H,13,14,15).
What are the key properties of [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine?
[4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 222.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).