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

C10H13BrN2O3 — CID 154311015

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 Name5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID154311015
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-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
XLogP1.31
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).