2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol

C7H11BrN4O — CID 80766138

IUPAC2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncc(Br)c(NCCO)n1
InChIInChI=1S/C7H11BrN4O/c1-9-7-11-4-5(8)6(12-7)10-2-3-13/h4,13H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyQYCWOMSLSLAZHU-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.69
Rot. Bonds4

About 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80766138) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80766138
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncc(Br)c(NCCO)n1
InChIInChI=1S/C7H11BrN4O/c1-9-7-11-4-5(8)6(12-7)10-2-3-13/h4,13H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyQYCWOMSLSLAZHU-UHFFFAOYSA-N
XLogP0.69
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067
3-[2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83117722
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
5-bromo-4-N-[2-(4-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80794844
2-[[2-(4-aminoanilino)-5-bromopyrimidin-4-yl]amino]ethanol
CID 143697332
5-bromo-2-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114185566
[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide
CID 80787327
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150117

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80766138) is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol is CNc1ncc(Br)c(NCCO)n1.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is QYCWOMSLSLAZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-9-7-11-4-5(8)6(12-7)10-2-3-13/h4,13H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 247.10 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80766138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).