3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol

C7H8BrClN2O2 — CID 79076426

IUPAC3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol
SMILESOCCCOc1nc(Cl)ncc1Br
InChIInChI=1S/C7H8BrClN2O2/c8-5-4-10-7(9)11-6(5)13-3-1-2-12/h4,12H,1-3H2
InChIKeyKMRKPYUERURTPP-UHFFFAOYSA-N
MW267.51 g/mol
LogP1.65
Rot. Bonds4

About 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol

3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol (PubChem CID 79076426) has the molecular formula C7H8BrClN2O2 and a molecular weight of 267.51 g/mol. Its IUPAC name is 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol
PubChem CID79076426
Molecular FormulaC7H8BrClN2O2
Molecular Weight267.51 g/mol
Exact Mass265.95
IUPAC Name3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol
SMILESOCCCOc1nc(Cl)ncc1Br
InChIInChI=1S/C7H8BrClN2O2/c8-5-4-10-7(9)11-6(5)13-3-1-2-12/h4,12H,1-3H2
InChIKeyKMRKPYUERURTPP-UHFFFAOYSA-N
XLogP1.65
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.51
LogP ≤ 51.65
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

3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
CID 818851
5-Bromo-4-methoxypyrimidine
CID 12270081
3-(2-Amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
CID 122536457
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
5-Bromo-2-chloro-4-methoxypyrimidine
CID 3663143
2-Amino-5-bromo-4-methoxypyrimidine
CID 45036937
5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CID 79076021
5-Bromo-4-cyclobutoxypyrimidin-2-amine
CID 80872179
(4-Methoxypyrimidin-5-YL)methanol
CID 86715279
2-Chloro-4-ethoxy-5-methylpyrimidine
CID 14874945
5-Bromo-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 60155907

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol?
The IUPAC name of 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol (CID 79076426) is 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol?
The canonical SMILES for 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol is OCCCOc1nc(Cl)ncc1Br.
What is the InChIKey of 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol?
The InChIKey is KMRKPYUERURTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O2/c8-5-4-10-7(9)11-6(5)13-3-1-2-12/h4,12H,1-3H2.
What are the key properties of 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol?
3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol has a molecular weight of 267.51 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol is sourced from PubChem (CID 79076426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).