4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol

C8H11BrClN3O — CID 79073499

IUPAC4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCNc1nc(Cl)ncc1Br
InChIInChI=1S/C8H11BrClN3O/c1-5(14)2-3-11-7-6(9)4-12-8(10)13-7/h4-5,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyCWTKXUCHYSJNPI-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.08
Rot. Bonds4

About 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol

4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol (PubChem CID 79073499) has the molecular formula C8H11BrClN3O and a molecular weight of 280.55 g/mol. Its IUPAC name is 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
PubChem CID79073499
Molecular FormulaC8H11BrClN3O
Molecular Weight280.55 g/mol
Exact Mass278.98
IUPAC Name4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCNc1nc(Cl)ncc1Br
InChIInChI=1S/C8H11BrClN3O/c1-5(14)2-3-11-7-6(9)4-12-8(10)13-7/h4-5,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyCWTKXUCHYSJNPI-UHFFFAOYSA-N
XLogP2.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-bromo-2-chloropyrimidin-4-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-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butanamide
CID 79075455
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107
N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79073683
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352563
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 79072822
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 79075229
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 58890950
N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 106192847
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol (CID 79073499) is 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol is CC(O)CCNc1nc(Cl)ncc1Br.
What is the InChIKey of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is CWTKXUCHYSJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClN3O/c1-5(14)2-3-11-7-6(9)4-12-8(10)13-7/h4-5,14H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol?
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 280.55 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 79073499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).