5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione

C14H15BrN2O4 — CID 102702118

IUPAC5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
SMILESCOC(C)Cn1c(O)c(-c2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15BrN2O4/c1-8(21-2)7-17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)6-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20)
InChIKeyQJURQDHNFVZSNH-UHFFFAOYSA-N
MW355.19 g/mol
LogP1.71
Rot. Bonds4

About 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione

5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione (PubChem CID 102702118) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
PubChem CID102702118
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
SMILESCOC(C)Cn1c(O)c(-c2cccc(Br)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15BrN2O4/c1-8(21-2)7-17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)6-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20)
InChIKeyQJURQDHNFVZSNH-UHFFFAOYSA-N
XLogP1.71
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Bromomethyl)-8-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
CID 322697
5-(3-Bromophenyl)pyrimidine-2,4(1H,3H)-dione
CID 817985
5-(2-Fluorophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
CID 102702129
1-(2-Ethoxyethyl)-5-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115945645
1-(2-Ethoxyethyl)-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115945646
5-(3-Fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 115945957
5-(2-Fluorophenyl)-6-hydroxy-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 115945958
5-(3-Fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
CID 115946312
5-(2-Fluorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
CID 115946313
5-(2-Bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 115946480
5-(4-Bromophenyl)-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 115946483
5-(2-Bromophenyl)-1-(2,2-difluoroethyl)-6-hydroxypyrimidine-2,4-dione
CID 115948916

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione (CID 102702118) is 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione is COC(C)Cn1c(O)c(-c2cccc(Br)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione?
The InChIKey is QJURQDHNFVZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-8(21-2)7-17-13(19)11(12(18)16-14(17)20)9-4-3-5-10(15)6-9/h3-6,8,19H,7H2,1-2H3,(H,16,18,20).
What are the key properties of 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione?
5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione has a molecular weight of 355.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 102702118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).