5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione

C14H15BrN2O2 — CID 2823223

IUPAC5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(Br)cn(-c2ccccc2C)c1=O
InChIInChI=1S/C14H15BrN2O2/c1-3-8-16-13(18)11(15)9-17(14(16)19)12-7-5-4-6-10(12)2/h4-7,9H,3,8H2,1-2H3
InChIKeyQEUFQFSKUSAQQE-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.48
Rot. Bonds3

About 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione

5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione (PubChem CID 2823223) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
PubChem CID2823223
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(Br)cn(-c2ccccc2C)c1=O
InChIInChI=1S/C14H15BrN2O2/c1-3-8-16-13(18)11(15)9-17(14(16)19)12-7-5-4-6-10(12)2/h4-7,9H,3,8H2,1-2H3
InChIKeyQEUFQFSKUSAQQE-UHFFFAOYSA-N
XLogP2.48
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione (CID 2823223) is 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione is CCCn1c(=O)c(Br)cn(-c2ccccc2C)c1=O.
What is the InChIKey of 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione?
The InChIKey is QEUFQFSKUSAQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-3-8-16-13(18)11(15)9-17(14(16)19)12-7-5-4-6-10(12)2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione?
5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione has a molecular weight of 323.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2823223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).