5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione

C14H15BrN2O2 — CID 142079218

IUPAC5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione
SMILESCCc1c(Br)c(=O)n(-c2ccccc2)c(=O)n1CC
InChIInChI=1S/C14H15BrN2O2/c1-3-11-12(15)13(18)17(14(19)16(11)4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyPPMZCRNXJWJWPV-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.34
Rot. Bonds3

About 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione

5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione (PubChem CID 142079218) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione
PubChem CID142079218
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione
SMILESCCc1c(Br)c(=O)n(-c2ccccc2)c(=O)n1CC
InChIInChI=1S/C14H15BrN2O2/c1-3-11-12(15)13(18)17(14(19)16(11)4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyPPMZCRNXJWJWPV-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione
CID 13433991
1-ethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 70937889
4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione
CID 2784876
1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one
CID 14043337
4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione
CID 121221372
5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
CID 1037172
3-(aminomethyl)-6-ethyl-1-phenylpyridin-2-one
CID 105485857
4-phenyl-1-propanoyl-1,2,4-triazolidine-3,5-dione
CID 101118935
7-benzoyl-1-ethyl-3-phenylpurine-2,6-dione
CID 59846960
3-bromo-1-ethylquinolin-2-one
CID 116985609
1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione
CID 22449673
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione (CID 142079218) is 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione is CCc1c(Br)c(=O)n(-c2ccccc2)c(=O)n1CC.
What is the InChIKey of 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione?
The InChIKey is PPMZCRNXJWJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-3-11-12(15)13(18)17(14(19)16(11)4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione?
5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione has a molecular weight of 323.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,6-diethyl-3-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 142079218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).