(4-bromopyrimidin-2-yl)methanol

C5H5BrN2O — CID 118839761

IUPAC(4-bromopyrimidin-2-yl)methanol
SMILESOCc1nccc(Br)n1
InChIInChI=1S/C5H5BrN2O/c6-4-1-2-7-5(3-9)8-4/h1-2,9H,3H2
InChIKeyUAZXMXILUUQZSG-UHFFFAOYSA-N
MW189.01 g/mol
LogP0.73
Rot. Bonds1

About (4-bromopyrimidin-2-yl)methanol

(4-bromopyrimidin-2-yl)methanol (PubChem CID 118839761) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is (4-bromopyrimidin-2-yl)methanol.

Molecular Properties

Compound Name(4-bromopyrimidin-2-yl)methanol
PubChem CID118839761
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name(4-bromopyrimidin-2-yl)methanol
SMILESOCc1nccc(Br)n1
InChIInChI=1S/C5H5BrN2O/c6-4-1-2-7-5(3-9)8-4/h1-2,9H,3H2
InChIKeyUAZXMXILUUQZSG-UHFFFAOYSA-N
XLogP0.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromopyrimidin-2-yl)methanol?
The IUPAC name of (4-bromopyrimidin-2-yl)methanol (CID 118839761) is (4-bromopyrimidin-2-yl)methanol.
What is the SMILES notation for (4-bromopyrimidin-2-yl)methanol?
The canonical SMILES for (4-bromopyrimidin-2-yl)methanol is OCc1nccc(Br)n1.
What is the InChIKey of (4-bromopyrimidin-2-yl)methanol?
The InChIKey is UAZXMXILUUQZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c6-4-1-2-7-5(3-9)8-4/h1-2,9H,3H2.
What are the key properties of (4-bromopyrimidin-2-yl)methanol?
(4-bromopyrimidin-2-yl)methanol has a molecular weight of 189.01 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopyrimidin-2-yl)methanol is sourced from PubChem (CID 118839761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).