5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione

Name: 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₃BrN₂O₃ — CID 154311015

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione

SMILESCc1[nH]c(=O)n(C2CCCCO2)c(=O)c1Br

InChIInChI=1S/C10H13BrN2O3/c1-6-8(11)9(14)13(10(15)12-6)7-4-2-3-5-16-7/h7H,2-5H2,1H3,(H,12,15)

InChIKeyGUDISQVTDMSLGN-UHFFFAOYSA-N

MW289.13 g/mol

LogP1.31

Rot. Bonds1

About 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione

5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 154311015) has the molecular formula C₁₀H₁₃BrN₂O₃ and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name	5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID	154311015
Molecular Formula	C₁₀H₁₃BrN₂O₃
Molecular Weight	289.13 g/mol
Exact Mass	288.01
IUPAC Name	5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione
SMILES	Cc1[nH]c(=O)n(C2CCCCO2)c(=O)c1Br
InChI	InChI=1S/C10H13BrN2O3/c1-6-8(11)9(14)13(10(15)12-6)7-4-2-3-5-16-7/h7H,2-5H2,1H3,(H,12,15)
InChIKey	GUDISQVTDMSLGN-UHFFFAOYSA-N
XLogP	1.31
TPSA	64.09 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.13
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione (CID 154311015) is 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(C2CCCCO2)c(=O)c1Br.

What is the InChIKey of 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione?

The InChIKey is GUDISQVTDMSLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-6-8(11)9(14)13(10(15)12-6)7-4-2-3-5-16-7/h7H,2-5H2,1H3,(H,12,15).

What are the key properties of 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione?

5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 289.13 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154311015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154311015 — identifiers, structure, computed properties (public domain)

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