6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione

C8H12BrN3O2 — CID 2461624

IUPAC6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C8H12BrN3O2/c1-3-4-12-6(10)5(9)7(13)11(2)8(12)14/h3-4,10H2,1-2H3
InChIKeyGEFIEODHEDWDMO-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.30
Rot. Bonds2

About 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 2461624) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID2461624
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C8H12BrN3O2/c1-3-4-12-6(10)5(9)7(13)11(2)8(12)14/h3-4,10H2,1-2H3
InChIKeyGEFIEODHEDWDMO-UHFFFAOYSA-N
XLogP0.30
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione (CID 2461624) is 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(Br)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is GEFIEODHEDWDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-3-4-12-6(10)5(9)7(13)11(2)8(12)14/h3-4,10H2,1-2H3.
What are the key properties of 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 262.11 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2461624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).