N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine

C11H16F3N5O — CID 102741435

IUPACN-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1cc(NN)nc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C11H16F3N5O/c1-19(7-2-3-7)4-5-20-9-6-8(18-15)16-10(17-9)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17,18)
InChIKeyLKIFUXZRPCCKMV-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.25
Rot. Bonds6

About N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine

N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine (PubChem CID 102741435) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine
PubChem CID102741435
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1cc(NN)nc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C11H16F3N5O/c1-19(7-2-3-7)4-5-20-9-6-8(18-15)16-10(17-9)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17,18)
InChIKeyLKIFUXZRPCCKMV-UHFFFAOYSA-N
XLogP1.25
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.25
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-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine (CID 102741435) is N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine is CN(CCOc1cc(NN)nc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine?
The InChIKey is LKIFUXZRPCCKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-19(7-2-3-7)4-5-20-9-6-8(18-15)16-10(17-9)11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17,18).
What are the key properties of N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine?
N-[2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine has a molecular weight of 291.28 g/mol, XLogP of 1.25, 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-(trifluoromethyl)pyrimidin-4-yl]oxyethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102741435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).