6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H18BrN3O2 — CID 81352487

IUPAC6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2/c1-10(11-4-6-12(16)7-5-11)17-9-13-8-14(20)19(3)15(21)18(13)2/h4-8,10,17H,9H2,1-3H3/t10-/m0/s1
InChIKeyVQMIEVKRDHKDGU-JTQLQIEISA-N
MW352.23 g/mol
LogP1.70
Rot. Bonds4

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

6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 81352487) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID81352487
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2/c1-10(11-4-6-12(16)7-5-11)17-9-13-8-14(20)19(3)15(21)18(13)2/h4-8,10,17H,9H2,1-3H3/t10-/m0/s1
InChIKeyVQMIEVKRDHKDGU-JTQLQIEISA-N
XLogP1.70
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]pyrimidine-2,4-dione
CID 94532848
1,3-dimethyl-6-[(1-phenylpropylamino)methyl]pyrimidine-2,4-dione
CID 62305734
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide
CID 61464351
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
(1S)-1-(4-bromophenyl)-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 81359776
(1S)-1-(4-bromophenyl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 81358937
1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66398996
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176
6-[(4-bromo-3,5-dimethylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103579729

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 81352487) is 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is C[C@H](NCc1cc(=O)n(C)c(=O)n1C)c1ccc(Br)cc1.
What is the InChIKey of 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VQMIEVKRDHKDGU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10(11-4-6-12(16)7-5-11)17-9-13-8-14(20)19(3)15(21)18(13)2/h4-8,10,17H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 352.23 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 81352487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).