N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine

C12H23N5O — CID 115506033

IUPACN-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ccnc(NN)n1)C(C)C
InChIInChI=1S/C12H23N5O/c1-9(2)17(10(3)4)7-8-18-11-5-6-14-12(15-11)16-13/h5-6,9-10H,7-8,13H2,1-4H3,(H,14,15,16)
InChIKeyLKSBHXPGRAGLRH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.26
Rot. Bonds7

About N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115506033) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115506033
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCOc1ccnc(NN)n1)C(C)C
InChIInChI=1S/C12H23N5O/c1-9(2)17(10(3)4)7-8-18-11-5-6-14-12(15-11)16-13/h5-6,9-10H,7-8,13H2,1-4H3,(H,14,15,16)
InChIKeyLKSBHXPGRAGLRH-UHFFFAOYSA-N
XLogP1.26
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.26
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

[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
CID 80909283
[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
CID 80922595
(4-heptoxypyrimidin-2-yl)hydrazine
CID 80910870
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
CID 114471298
6-[2-[di(propan-2-yl)amino]ethoxy]pyridin-2-amine
CID 113325043
(4-pent-4-enoxypyrimidin-2-yl)hydrazine
CID 80923088
6-[2-[di(propan-2-yl)amino]ethoxy]-N-methylpyridin-2-amine
CID 115505944
N-[2-[[4-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505619
N-[2-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506035
N-[2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505644
2-hydrazinyl-N-propan-2-yl-N-propylpyrimidin-4-amine
CID 80895366

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine (CID 115506033) is N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCOc1ccnc(NN)n1)C(C)C.
What is the InChIKey of N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is LKSBHXPGRAGLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(2)17(10(3)4)7-8-18-11-5-6-14-12(15-11)16-13/h5-6,9-10H,7-8,13H2,1-4H3,(H,14,15,16).
What are the key properties of N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115506033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).