3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride

C7H11BrClN3O — CID 166000452

IUPAC3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride
SMILESCl.NCCCOc1ncc(Br)cn1
InChIInChI=1S/C7H10BrN3O.ClH/c8-6-4-10-7(11-5-6)12-3-1-2-9;/h4-5H,1-3,9H2;1H
InChIKeyCUXFNAOENUPRHF-UHFFFAOYSA-N
MW268.54 g/mol
LogP1.39
Rot. Bonds4

About 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride

3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride (PubChem CID 166000452) has the molecular formula C7H11BrClN3O and a molecular weight of 268.54 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride
PubChem CID166000452
Molecular FormulaC7H11BrClN3O
Molecular Weight268.54 g/mol
Exact Mass266.98
IUPAC Name3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride
SMILESCl.NCCCOc1ncc(Br)cn1
InChIInChI=1S/C7H10BrN3O.ClH/c8-6-4-10-7(11-5-6)12-3-1-2-9;/h4-5H,1-3,9H2;1H
InChIKeyCUXFNAOENUPRHF-UHFFFAOYSA-N
XLogP1.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.54
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-bromopyrimidine
CID 231310
Pyrimidine, 5-bromo-2-methoxy-
CID 139657
5-Bromo-N-methylpyrimidin-2-amine
CID 13098184
5-Bromo-2-ethoxypyrimidine
CID 16427141
2-((5-Bromopyrimidin-2-yl)oxy)ethan-1-ol
CID 63868414
5-Bromo-2-(tert-butoxy)pyrimidine
CID 14242657
2-Acetamido-5-bromopyrimidine
CID 22593724
5-Bromo-2-methoxypyrimidin-4-amine
CID 45789781
5-bromo-N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
CID 71996252
5-bromo-N-[3-(oxolan-3-ylmethoxy)propyl]pyrimidin-2-amine
CID 72003509
5-Bromo-N-ethylpyrimidin-2-amine
CID 46739544
3-(Pyrimidin-2-yloxy)propan-1-amine dihydrochloride
CID 91654410

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride (CID 166000452) is 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride is Cl.NCCCOc1ncc(Br)cn1.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride?
The InChIKey is CUXFNAOENUPRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O.ClH/c8-6-4-10-7(11-5-6)12-3-1-2-9;/h4-5H,1-3,9H2;1H.
What are the key properties of 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride?
3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride has a molecular weight of 268.54 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-2-yl)oxypropan-1-amine;hydrochloride is sourced from PubChem (CID 166000452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).