5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C12H14BrN3O2S — CID 54900402

IUPAC5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCc2ccc(Br)s2)c(=O)n(C)c1=O
InChIInChI=1S/C12H14BrN3O2S/c1-15-7-8(11(17)16(2)12(15)18)5-14-6-9-3-4-10(13)19-9/h3-4,7,14H,5-6H2,1-2H3
InChIKeyOGUMXSVVQFDBSB-UHFFFAOYSA-N
MW344.23 g/mol
LogP1.20
Rot. Bonds4

About 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 54900402) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID54900402
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCc2ccc(Br)s2)c(=O)n(C)c1=O
InChIInChI=1S/C12H14BrN3O2S/c1-15-7-8(11(17)16(2)12(15)18)5-14-6-9-3-4-10(13)19-9/h3-4,7,14H,5-6H2,1-2H3
InChIKeyOGUMXSVVQFDBSB-UHFFFAOYSA-N
XLogP1.20
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
CID 28618755
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28670574
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetic acid
CID 43135043
1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 106393533
N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide
CID 28710634
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
1-(5-bromothiophen-2-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]methanamine
CID 115627577
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211
5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 28610058

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 54900402) is 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCc2ccc(Br)s2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OGUMXSVVQFDBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-15-7-8(11(17)16(2)12(15)18)5-14-6-9-3-4-10(13)19-9/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 344.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 54900402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).