2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol

C8H12BrN3O — CID 22024679

IUPAC2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncncc1Br
InChIInChI=1S/C8H12BrN3O/c1-2-6(4-13)12-8-7(9)3-10-5-11-8/h3,5-6,13H,2,4H2,1H3,(H,10,11,12)
InChIKeyWALYWZNDYDKQEQ-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.42
Rot. Bonds4

About 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol

2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol (PubChem CID 22024679) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
PubChem CID22024679
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncncc1Br
InChIInChI=1S/C8H12BrN3O/c1-2-6(4-13)12-8-7(9)3-10-5-11-8/h3,5-6,13H,2,4H2,1H3,(H,10,11,12)
InChIKeyWALYWZNDYDKQEQ-UHFFFAOYSA-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

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Related Compounds

3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 115715016
2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
5-bromo-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 103578161
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
CID 83843664
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564
5-iodo-N-pentan-3-ylpyrimidin-4-amine
CID 65417577
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
3-N-(5-bromopyrimidin-4-yl)butane-1,3-diamine
CID 83180764
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
CID 66342541

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol (CID 22024679) is 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1ncncc1Br.
What is the InChIKey of 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is WALYWZNDYDKQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-2-6(4-13)12-8-7(9)3-10-5-11-8/h3,5-6,13H,2,4H2,1H3,(H,10,11,12).
What are the key properties of 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol?
2-[(5-bromopyrimidin-4-yl)amino]butan-1-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 2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 22024679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).