[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine

C12H22N6 — CID 105261200

IUPAC[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2cncnc2)C1
InChIInChI=1S/C12H22N6/c1-17-4-3-5-18(2)11(8-17)12(16-13)10-6-14-9-15-7-10/h6-7,9,11-12,16H,3-5,8,13H2,1-2H3
InChIKeyGEQLULASJWILGB-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.38
Rot. Bonds3

About [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine

[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine (PubChem CID 105261200) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
PubChem CID105261200
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine
SMILESCN1CCCN(C)C(C(NN)c2cncnc2)C1
InChIInChI=1S/C12H22N6/c1-17-4-3-5-18(2)11(8-17)12(16-13)10-6-14-9-15-7-10/h6-7,9,11-12,16H,3-5,8,13H2,1-2H3
InChIKeyGEQLULASJWILGB-UHFFFAOYSA-N
XLogP-0.38
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.38
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

[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105261347
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105261273
[(4-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261246
[(1,4-dimethylpiperazin-2-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105247363
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-propylphenyl)methyl]hydrazine
CID 105261179
[(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105261259
3-[(1,4-dimethyl-1,4-diazepan-2-yl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105261374
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
[(1,4-dimethylpiperazin-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105247203
[2,3-dihydro-1-benzofuran-5-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261360
[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261189
[(4-tert-butylphenyl)-(1,4-dimethylpiperazin-2-yl)methyl]hydrazine
CID 105247429

Frequently Asked Questions

What is the IUPAC name of [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine?
The IUPAC name of [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine (CID 105261200) is [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine?
The canonical SMILES for [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine is CN1CCCN(C)C(C(NN)c2cncnc2)C1.
What is the InChIKey of [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine?
The InChIKey is GEQLULASJWILGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-17-4-3-5-18(2)11(8-17)12(16-13)10-6-14-9-15-7-10/h6-7,9,11-12,16H,3-5,8,13H2,1-2H3.
What are the key properties of [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine?
[(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine has a molecular weight of 250.35 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,4-dimethyl-1,4-diazepan-2-yl)-pyrimidin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105261200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).