6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione

C14H16BrN3O2 — CID 102281921

IUPAC6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(Cc1ccccc1Br)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H16BrN3O2/c1-16(9-10-6-4-5-7-11(10)15)12-8-13(19)18(3)14(20)17(12)2/h4-8H,9H2,1-3H3
InChIKeyLMHGKSBJWIXERZ-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.48
Rot. Bonds3

About 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione

6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 102281921) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID102281921
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(Cc1ccccc1Br)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H16BrN3O2/c1-16(9-10-6-4-5-7-11(10)15)12-8-13(19)18(3)14(20)17(12)2/h4-8H,9H2,1-3H3
InChIKeyLMHGKSBJWIXERZ-UHFFFAOYSA-N
XLogP1.48
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione
CID 4151380
6-[2-[2-hydroxyethyl-[3-(2-hydroxyphenyl)propyl]amino]ethyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione
CID 19012104
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 133313281
4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one
CID 12031180
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
3-N-[(2-bromophenyl)methyl]-3-N-methyl-5-nitrobenzene-1,3-diamine
CID 80794115
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
CID 155291918
4-bromo-2-[(2-bromophenyl)methyl-methylamino]benzaldehyde
CID 63535972
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione (CID 102281921) is 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is CN(Cc1ccccc1Br)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LMHGKSBJWIXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-16(9-10-6-4-5-7-11(10)15)12-8-13(19)18(3)14(20)17(12)2/h4-8H,9H2,1-3H3.
What are the key properties of 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 338.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methyl-methylamino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 102281921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).