1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione

C13H14BrN3O2 — CID 3041244

IUPAC1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione
SMILESCN(C)c1cn(-c2ccc(Br)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H14BrN3O2/c1-15(2)11-8-17(13(19)16(3)12(11)18)10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKeyZHYCVFLAKNLPAT-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.36
Rot. Bonds2

About 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione

1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione (PubChem CID 3041244) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione
PubChem CID3041244
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione
SMILESCN(C)c1cn(-c2ccc(Br)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H14BrN3O2/c1-15(2)11-8-17(13(19)16(3)12(11)18)10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKeyZHYCVFLAKNLPAT-UHFFFAOYSA-N
XLogP1.36
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione (CID 3041244) is 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione is CN(C)c1cn(-c2ccc(Br)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione?
The InChIKey is ZHYCVFLAKNLPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-15(2)11-8-17(13(19)16(3)12(11)18)10-6-4-9(14)5-7-10/h4-8H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione?
1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione has a molecular weight of 324.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-(dimethylamino)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3041244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).