1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C14H26N6 — CID 105417038

IUPAC1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCc1cc(NN)nc(CN(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H26N6/c1-11-8-12(18-15)17-13(16-11)9-20(4)10-14(19(2)3)6-5-7-14/h8H,5-7,9-10,15H2,1-4H3,(H,16,17,18)
InChIKeyVDIJGFZFQSTVTD-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.99
Rot. Bonds6

About 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105417038) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105417038
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCc1cc(NN)nc(CN(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H26N6/c1-11-8-12(18-15)17-13(16-11)9-20(4)10-14(19(2)3)6-5-7-14/h8H,5-7,9-10,15H2,1-4H3,(H,16,17,18)
InChIKeyVDIJGFZFQSTVTD-UHFFFAOYSA-N
XLogP0.99
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
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 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105417038) is 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is Cc1cc(NN)nc(CN(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is VDIJGFZFQSTVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-11-8-12(18-15)17-13(16-11)9-20(4)10-14(19(2)3)6-5-7-14/h8H,5-7,9-10,15H2,1-4H3,(H,16,17,18).
What are the key properties of 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105417038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).