2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol

C15H28N4O2 — CID 80985152

IUPAC2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCCNc1nc(C(C)(C)C)nc(NCCOCCO)c1C
InChIInChI=1S/C15H28N4O2/c1-6-16-12-11(2)13(17-7-9-21-10-8-20)19-14(18-12)15(3,4)5/h20H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyBFRGOWXYJZERTE-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.94
Rot. Bonds8

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

2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 80985152) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID80985152
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
SMILESCCNc1nc(C(C)(C)C)nc(NCCOCCO)c1C
InChIInChI=1S/C15H28N4O2/c1-6-16-12-11(2)13(17-7-9-21-10-8-20)19-14(18-12)15(3,4)5/h20H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyBFRGOWXYJZERTE-UHFFFAOYSA-N
XLogP1.94
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 81006283
2-[2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825941
2-tert-butyl-6-N-ethyl-4-N-(4-methoxybutyl)-5-methylpyrimidine-4,6-diamine
CID 80983933
2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825947
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82941053
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242015
2-[2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241770
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471120
2-tert-butyl-5-methyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-4,6-diamine
CID 80984364
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80993309

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol (CID 80985152) is 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol is CCNc1nc(C(C)(C)C)nc(NCCOCCO)c1C.
What is the InChIKey of 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is BFRGOWXYJZERTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-6-16-12-11(2)13(17-7-9-21-10-8-20)19-14(18-12)15(3,4)5/h20H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 296.42 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 80985152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).