N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine

C12H21N5O — CID 102741459

IUPACN-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
SMILESCc1nc(NN)c(C)c(OCCN(C)C2CC2)n1
InChIInChI=1S/C12H21N5O/c1-8-11(16-13)14-9(2)15-12(8)18-7-6-17(3)10-4-5-10/h10H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyCTKWHFWDSYYZHT-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine

N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine (PubChem CID 102741459) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
PubChem CID102741459
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
SMILESCc1nc(NN)c(C)c(OCCN(C)C2CC2)n1
InChIInChI=1S/C12H21N5O/c1-8-11(16-13)14-9(2)15-12(8)18-7-6-17(3)10-4-5-10/h10H,4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyCTKWHFWDSYYZHT-UHFFFAOYSA-N
XLogP0.85
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.85
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 N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine (CID 102741459) is N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine is Cc1nc(NN)c(C)c(OCCN(C)C2CC2)n1.
What is the InChIKey of N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The InChIKey is CTKWHFWDSYYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-11(16-13)14-9(2)15-12(8)18-7-6-17(3)10-4-5-10/h10H,4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine?
N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine has a molecular weight of 251.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102741459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).