[2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine

C11H19N5O — CID 80938080

IUPAC[2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(N2CCCOCC2)n1
InChIInChI=1S/C11H19N5O/c1-2-9-13-10(15-12)8-11(14-9)16-4-3-6-17-7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyCAEMHALTWYEZBI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.55
Rot. Bonds3

About [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine

[2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80938080) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID80938080
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name[2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(N2CCCOCC2)n1
InChIInChI=1S/C11H19N5O/c1-2-9-13-10(15-12)8-11(14-9)16-4-3-6-17-7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyCAEMHALTWYEZBI-UHFFFAOYSA-N
XLogP0.55
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.55
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

(2-ethyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 80937224
2-ethyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80933335
2-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80934171
2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
CID 116862851
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629749
[2-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80938009
[6-methyl-2-(1,4-oxazepan-4-ylmethyl)pyrimidin-4-yl]hydrazine
CID 80655372
(2-propyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 13393618
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
[6-(8-azaspiro[4.5]decan-8-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80944594

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine (CID 80938080) is [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(N2CCCOCC2)n1.
What is the InChIKey of [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is CAEMHALTWYEZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-9-13-10(15-12)8-11(14-9)16-4-3-6-17-7-5-16/h8H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
[2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 237.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80938080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).