(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol

C8H12BrN3O — CID 131107121

IUPAC(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
SMILESC[C@H](O)CCNc1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3O/c1-6(13)2-3-10-8-11-4-7(9)5-12-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)/t6-/m0/s1
InChIKeyLLZAUJUXZYCZJG-LURJTMIESA-N
MW246.11 g/mol
LogP1.42
Rot. Bonds4

About (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol

(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol (PubChem CID 131107121) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
PubChem CID131107121
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
SMILESC[C@H](O)CCNc1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3O/c1-6(13)2-3-10-8-11-4-7(9)5-12-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)/t6-/m0/s1
InChIKeyLLZAUJUXZYCZJG-LURJTMIESA-N
XLogP1.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504
4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 66106214
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
3-[(5-bromopyrimidin-2-yl)amino]propanamide
CID 63872635
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
CID 63872452
6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
CID 103918084
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol (CID 131107121) is (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol is C[C@H](O)CCNc1ncc(Br)cn1.
What is the InChIKey of (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is LLZAUJUXZYCZJG-LURJTMIESA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-6(13)2-3-10-8-11-4-7(9)5-12-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)/t6-/m0/s1.
What are the key properties of (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol?
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 246.11 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 131107121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).