[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine

C12H21N5O — CID 80919581

IUPAC[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C12H21N5O/c1-8-7-17(5-4-6-18-8)12-9(2)11(16-13)14-10(3)15-12/h8H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyOSJKHNJQEVSXAZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds2

About [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine

[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80919581) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID80919581
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C12H21N5O/c1-8-7-17(5-4-6-18-8)12-9(2)11(16-13)14-10(3)15-12/h8H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyOSJKHNJQEVSXAZ-UHFFFAOYSA-N
XLogP0.99
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine (CID 80919581) is [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(N2CCCOC(C)C2)n1.
What is the InChIKey of [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is OSJKHNJQEVSXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-7-17(5-4-6-18-8)12-9(2)11(16-13)14-10(3)15-12/h8H,4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine?
[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 251.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80919581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).