5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol

C9H14BrN3O — CID 107269196

IUPAC5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ncc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-7(14)3-2-4-11-9-12-5-8(10)6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13)
InChIKeyVAYODYJUGMWMLD-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.81
Rot. Bonds5

About 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol

5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol (PubChem CID 107269196) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
PubChem CID107269196
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ncc(Br)cn1
InChIInChI=1S/C9H14BrN3O/c1-7(14)3-2-4-11-9-12-5-8(10)6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13)
InChIKeyVAYODYJUGMWMLD-UHFFFAOYSA-N
XLogP1.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
CID 103918084
4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 66106214
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine
CID 107844829
5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine
CID 114600442
3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
3-[(5-bromopyrimidin-2-yl)amino]propanamide
CID 63872635

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol (CID 107269196) is 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol is CC(O)CCCNc1ncc(Br)cn1.
What is the InChIKey of 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol?
The InChIKey is VAYODYJUGMWMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-7(14)3-2-4-11-9-12-5-8(10)6-13-9/h5-7,14H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol?
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).