5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione

C17H22BrN3O3 — CID 11246458

IUPAC5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione
SMILESCCn1cc(N(C)Cc2cc(OC)ccc2Br)c(=O)n(CC)c1=O
InChIInChI=1S/C17H22BrN3O3/c1-5-20-11-15(16(22)21(6-2)17(20)23)19(3)10-12-9-13(24-4)7-8-14(12)18/h7-9,11H,5-6,10H2,1-4H3
InChIKeyMMJRGTDSFGCRNS-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.46
Rot. Bonds6

About 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione

5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione (PubChem CID 11246458) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione
PubChem CID11246458
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione
SMILESCCn1cc(N(C)Cc2cc(OC)ccc2Br)c(=O)n(CC)c1=O
InChIInChI=1S/C17H22BrN3O3/c1-5-20-11-15(16(22)21(6-2)17(20)23)19(3)10-12-9-13(24-4)7-8-14(12)18/h7-9,11H,5-6,10H2,1-4H3
InChIKeyMMJRGTDSFGCRNS-UHFFFAOYSA-N
XLogP2.46
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione
CID 12034241
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 65324092
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509
N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline
CID 65325822
4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120425
2-ethyl-7-methoxy-4-methylisoquinolin-1-one
CID 115030040
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
4-bromo-5-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133302816
N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 65326987
N-[(2-bromo-5-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 65324170

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione (CID 11246458) is 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione is CCn1cc(N(C)Cc2cc(OC)ccc2Br)c(=O)n(CC)c1=O.
What is the InChIKey of 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione?
The InChIKey is MMJRGTDSFGCRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-5-20-11-15(16(22)21(6-2)17(20)23)19(3)10-12-9-13(24-4)7-8-14(12)18/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione?
5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione has a molecular weight of 396.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione is sourced from PubChem (CID 11246458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).