[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine

C11H20N6 — CID 80931874

IUPAC[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1N1CCCN(C)CC1
InChIInChI=1S/C11H20N6/c1-9-10(15-12)13-8-14-11(9)17-5-3-4-16(2)6-7-17/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyOSIJIQZZQCEBIY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.21
Rot. Bonds2

About [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine

[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80931874) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80931874
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1N1CCCN(C)CC1
InChIInChI=1S/C11H20N6/c1-9-10(15-12)13-8-14-11(9)17-5-3-4-16(2)6-7-17/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyOSIJIQZZQCEBIY-UHFFFAOYSA-N
XLogP0.21
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.21
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

[6-(3-azaspiro[5.5]undecan-3-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80919022
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80928300
2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229347
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
[6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80898594
4-hydrazinyl-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137338
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961881
[6-(2,2-dimethylmorpholin-4-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80906160
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80930838
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80767389
N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795778
6-hydrazinyl-5-methyl-N-piperidin-1-ylpyrimidin-4-amine
CID 83028115

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine (CID 80931874) is [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine is Cc1c(NN)ncnc1N1CCCN(C)CC1.
What is the InChIKey of [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is OSIJIQZZQCEBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-9-10(15-12)13-8-14-11(9)17-5-3-4-16(2)6-7-17/h8H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine?
[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 236.32 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80931874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).