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

C16H20BrN3O3 — CID 12034241

IUPAC5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione
SMILESCCn1cc(N(C)Cc2cc(OC)ccc2Br)c(=O)n(C)c1=O
InChIInChI=1S/C16H20BrN3O3/c1-5-20-10-14(15(21)19(3)16(20)22)18(2)9-11-8-12(23-4)6-7-13(11)17/h6-8,10H,5,9H2,1-4H3
InChIKeyMALOEJJYYPAEFD-UHFFFAOYSA-N
MW382.26 g/mol
LogP1.97
Rot. Bonds5

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

5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione (PubChem CID 12034241) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione
PubChem CID12034241
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione
SMILESCCn1cc(N(C)Cc2cc(OC)ccc2Br)c(=O)n(C)c1=O
InChIInChI=1S/C16H20BrN3O3/c1-5-20-10-14(15(21)19(3)16(20)22)18(2)9-11-8-12(23-4)6-7-13(11)17/h6-8,10H,5,9H2,1-4H3
InChIKeyMALOEJJYYPAEFD-UHFFFAOYSA-N
XLogP1.97
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1,3-diethylpyrimidine-2,4-dione
CID 11246458
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
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
5-amino-3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 65324092
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
4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120425
N-[(2-bromo-5-methoxyphenyl)methyl]-3-fluoro-N-methylaniline
CID 65325822
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(1,3-dimethyl-2,4-dioxo-6-prop-2-enylpyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 134833249
3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one
CID 11406181
2-ethyl-7-methoxy-4-methylisoquinolin-1-one
CID 115030040

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione (CID 12034241) is 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione is CCn1cc(N(C)Cc2cc(OC)ccc2Br)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione?
The InChIKey is MALOEJJYYPAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-5-20-10-14(15(21)19(3)16(20)22)18(2)9-11-8-12(23-4)6-7-13(11)17/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione?
5-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-1-ethyl-3-methylpyrimidine-2,4-dione has a molecular weight of 382.26 g/mol, XLogP of 1.97, 5 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-ethyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 12034241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).