5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

C12H11BrN2O3 — CID 83952351

IUPAC5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1ccc(O)c(Br)c1
InChIInChI=1S/C12H11BrN2O3/c1-6-8(11(17)15-12(18)14-6)4-7-2-3-10(16)9(13)5-7/h2-3,5,16H,4H2,1H3,(H2,14,15,17,18)
InChIKeyIIGRHDXTRIHYMD-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.43
Rot. Bonds2

About 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 83952351) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID83952351
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1ccc(O)c(Br)c1
InChIInChI=1S/C12H11BrN2O3/c1-6-8(11(17)15-12(18)14-6)4-7-2-3-10(16)9(13)5-7/h2-3,5,16H,4H2,1H3,(H2,14,15,17,18)
InChIKeyIIGRHDXTRIHYMD-UHFFFAOYSA-N
XLogP1.43
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 83952351) is 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1Cc1ccc(O)c(Br)c1.
What is the InChIKey of 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is IIGRHDXTRIHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-6-8(11(17)15-12(18)14-6)4-7-2-3-10(16)9(13)5-7/h2-3,5,16H,4H2,1H3,(H2,14,15,17,18).
What are the key properties of 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 311.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83952351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).