(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate

C8H9BrN2O3 — CID 23177790

IUPAC(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1nc(C)ncc1Br
InChIInChI=1S/C8H9BrN2O3/c1-3-13-8(12)14-7-6(9)4-10-5(2)11-7/h4H,3H2,1-2H3
InChIKeyNPYLNYGQHJPKGB-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.08
Rot. Bonds2

About (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate

(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate (PubChem CID 23177790) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate.

Molecular Properties

Compound Name(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
PubChem CID23177790
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1nc(C)ncc1Br
InChIInChI=1S/C8H9BrN2O3/c1-3-13-8(12)14-7-6(9)4-10-5(2)11-7/h4H,3H2,1-2H3
InChIKeyNPYLNYGQHJPKGB-UHFFFAOYSA-N
XLogP2.08
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate?
The IUPAC name of (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate (CID 23177790) is (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate.
What is the SMILES notation for (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate?
The canonical SMILES for (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate is CCOC(=O)Oc1nc(C)ncc1Br.
What is the InChIKey of (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate?
The InChIKey is NPYLNYGQHJPKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-3-13-8(12)14-7-6(9)4-10-5(2)11-7/h4H,3H2,1-2H3.
What are the key properties of (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate?
(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate has a molecular weight of 261.07 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate is sourced from PubChem (CID 23177790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).