5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C13H13BrN2O3 — CID 712632

IUPAC5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1c(Br)c(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C13H13BrN2O3/c1-9-11(14)12(17)15-13(18)16(9)8-19-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,17,18)
InChIKeyUEBGZZUOCBFJIH-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.78
Rot. Bonds4

About 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 712632) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID712632
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1c(Br)c(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C13H13BrN2O3/c1-9-11(14)12(17)15-13(18)16(9)8-19-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,17,18)
InChIKeyUEBGZZUOCBFJIH-UHFFFAOYSA-N
XLogP1.78
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.78
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-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 712632) is 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is Cc1c(Br)c(=O)[nH]c(=O)n1COCc1ccccc1.
What is the InChIKey of 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is UEBGZZUOCBFJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-9-11(14)12(17)15-13(18)16(9)8-19-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,17,18).
What are the key properties of 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 325.16 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 712632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).