2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol

C12H24N6O — CID 19141187

IUPAC2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(NNC(C)(C)C)c1N
InChIInChI=1S/C12H24N6O/c1-5-18(6-7-19)11-9(13)10(14-8-15-11)16-17-12(2,3)4/h8,17,19H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyUMYIEOVHZUFZHO-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.59
Rot. Bonds6

About 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol

2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol (PubChem CID 19141187) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol
PubChem CID19141187
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(NNC(C)(C)C)c1N
InChIInChI=1S/C12H24N6O/c1-5-18(6-7-19)11-9(13)10(14-8-15-11)16-17-12(2,3)4/h8,17,19H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyUMYIEOVHZUFZHO-UHFFFAOYSA-N
XLogP0.59
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
2-[(5-amino-6-hydrazinylpyrimidin-4-yl)-ethylamino]ethanol
CID 19141155
2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141212
4-N,4-N,6-N-triethylpyrimidine-4,5,6-triamine
CID 19135168
3-[[5-amino-6-[ethyl(2-hydroxyethyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141084
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol
CID 19141107
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
CID 23477594
2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141235
2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141185
4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19136831

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol (CID 19141187) is 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol is CCN(CCO)c1ncnc(NNC(C)(C)C)c1N.
What is the InChIKey of 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol?
The InChIKey is UMYIEOVHZUFZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-5-18(6-7-19)11-9(13)10(14-8-15-11)16-17-12(2,3)4/h8,17,19H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol?
2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol has a molecular weight of 268.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 19141187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).