2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide

C13H24N6O2 — CID 106242015

IUPAC2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCCOCC(N)=O
InChIInChI=1S/C13H24N6O2/c1-8-10(16-5-6-21-7-9(14)20)17-12(13(2,3)4)18-11(8)19-15/h5-7,15H2,1-4H3,(H2,14,20)(H2,16,17,18,19)
InChIKeyILSOCJZJJIPFIV-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.28
Rot. Bonds7

About 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 106242015) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID106242015
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCCOCC(N)=O
InChIInChI=1S/C13H24N6O2/c1-8-10(16-5-6-21-7-9(14)20)17-12(13(2,3)4)18-11(8)19-15/h5-7,15H2,1-4H3,(H2,14,20)(H2,16,17,18,19)
InChIKeyILSOCJZJJIPFIV-UHFFFAOYSA-N
XLogP0.28
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241770
2-[2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242021
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 81006283
methyl 2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 81000583
2-tert-butyl-6-hydrazinyl-N-(4-methoxybutyl)-5-methylpyrimidin-4-amine
CID 81006868
2-[2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241829
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 81001260
2-tert-butyl-6-hydrazinyl-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006696
N-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80994504
2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80985152
N-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 81007223
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341033

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide (CID 106242015) is 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide is Cc1c(NN)nc(C(C)(C)C)nc1NCCOCC(N)=O.
What is the InChIKey of 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is ILSOCJZJJIPFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-8-10(16-5-6-21-7-9(14)20)17-12(13(2,3)4)18-11(8)19-15/h5-7,15H2,1-4H3,(H2,14,20)(H2,16,17,18,19).
What are the key properties of 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 296.38 g/mol, XLogP of 0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106242015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).