2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol

C8H13BrN4O — CID 80790255

IUPAC2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)ncc1Br
InChIInChI=1S/C8H13BrN4O/c1-2-13(3-4-14)7-6(9)5-11-8(10)12-7/h5,14H,2-4H2,1H3,(H2,10,11,12)
InChIKeyWLXLSQRWFMLVHG-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.64
Rot. Bonds4

About 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol

2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 80790255) has the molecular formula C8H13BrN4O and a molecular weight of 261.12 g/mol. Its IUPAC name is 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
PubChem CID80790255
Molecular FormulaC8H13BrN4O
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)ncc1Br
InChIInChI=1S/C8H13BrN4O/c1-2-13(3-4-14)7-6(9)5-11-8(10)12-7/h5,14H,2-4H2,1H3,(H2,10,11,12)
InChIKeyWLXLSQRWFMLVHG-UHFFFAOYSA-N
XLogP0.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998924
2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 66341302
2-[(2-amino-5-bromopyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80811319
5-bromo-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80814938
2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 80806174
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898903
4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 102998979
2-[benzyl-(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80908270
4-N-ethyl-5-fluoro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80809527
3-[[5-amino-6-[ethyl(2-hydroxyethyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141084
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80791325

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol (CID 80790255) is 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1nc(N)ncc1Br.
What is the InChIKey of 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is WLXLSQRWFMLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O/c1-2-13(3-4-14)7-6(9)5-11-8(10)12-7/h5,14H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol?
2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 261.12 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 80790255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).