6-amino-5-bromo-1-butylpyrimidine-2,4-dione

C8H12BrN3O2 — CID 2386152

IUPAC6-amino-5-bromo-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(Br)c(=O)[nH]c1=O
InChIInChI=1S/C8H12BrN3O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h2-4,10H2,1H3,(H,11,13,14)
InChIKeyAUTKCNDJEGLZGP-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.68
Rot. Bonds3

About 6-amino-5-bromo-1-butylpyrimidine-2,4-dione

6-amino-5-bromo-1-butylpyrimidine-2,4-dione (PubChem CID 2386152) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 6-amino-5-bromo-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-bromo-1-butylpyrimidine-2,4-dione
PubChem CID2386152
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name6-amino-5-bromo-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(Br)c(=O)[nH]c1=O
InChIInChI=1S/C8H12BrN3O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h2-4,10H2,1H3,(H,11,13,14)
InChIKeyAUTKCNDJEGLZGP-UHFFFAOYSA-N
XLogP0.68
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1-butylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-bromo-1-butylpyrimidine-2,4-dione (CID 2386152) is 6-amino-5-bromo-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-bromo-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-bromo-1-butylpyrimidine-2,4-dione is CCCCn1c(N)c(Br)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-bromo-1-butylpyrimidine-2,4-dione?
The InChIKey is AUTKCNDJEGLZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h2-4,10H2,1H3,(H,11,13,14).
What are the key properties of 6-amino-5-bromo-1-butylpyrimidine-2,4-dione?
6-amino-5-bromo-1-butylpyrimidine-2,4-dione has a molecular weight of 262.11 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 2386152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).