3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol

C9H14BrN3O — CID 131183416

IUPAC3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1ncc(Br)c(NC(C)CCO)n1
InChIInChI=1S/C9H14BrN3O/c1-6(3-4-14)12-9-8(10)5-11-7(2)13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyOIUNJSHQIWDGBF-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.73
Rot. Bonds4

About 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol

3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 131183416) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID131183416
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1ncc(Br)c(NC(C)CCO)n1
InChIInChI=1S/C9H14BrN3O/c1-6(3-4-14)12-9-8(10)5-11-7(2)13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyOIUNJSHQIWDGBF-UHFFFAOYSA-N
XLogP1.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 131140618
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol
CID 83180147
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
3-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79711129
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358212
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352563

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol (CID 131183416) is 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol is Cc1ncc(Br)c(NC(C)CCO)n1.
What is the InChIKey of 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is OIUNJSHQIWDGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-6(3-4-14)12-9-8(10)5-11-7(2)13-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol?
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 260.13 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 131183416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).