5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine

C11H20BrN3O2 — CID 86278206

IUPAC5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine
SMILESCCC(C)n1c(=O)[nH]c(C)c(Br)c1=O.CNC
InChIInChI=1S/C9H13BrN2O2.C2H7N/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;1-3-2/h5H,4H2,1-3H3,(H,11,14);3H,1-2H3
InChIKeyVWQXSGUWVIZRBK-UHFFFAOYSA-N
MW306.20 g/mol
LogP1.41
Rot. Bonds2

About 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine

5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine (PubChem CID 86278206) has the molecular formula C11H20BrN3O2 and a molecular weight of 306.20 g/mol. Its IUPAC name is 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine.

Molecular Properties

Compound Name5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine
PubChem CID86278206
Molecular FormulaC11H20BrN3O2
Molecular Weight306.20 g/mol
Exact Mass305.07
IUPAC Name5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine
SMILESCCC(C)n1c(=O)[nH]c(C)c(Br)c1=O.CNC
InChIInChI=1S/C9H13BrN2O2.C2H7N/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;1-3-2/h5H,4H2,1-3H3,(H,11,14);3H,1-2H3
InChIKeyVWQXSGUWVIZRBK-UHFFFAOYSA-N
XLogP1.41
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine?
The IUPAC name of 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine (CID 86278206) is 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine.
What is the SMILES notation for 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine?
The canonical SMILES for 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine is CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O.CNC.
What is the InChIKey of 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine?
The InChIKey is VWQXSGUWVIZRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2.C2H7N/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;1-3-2/h5H,4H2,1-3H3,(H,11,14);3H,1-2H3.
What are the key properties of 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine?
5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine has a molecular weight of 306.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione;N-methylmethanamine is sourced from PubChem (CID 86278206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).