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

C6H8BrN3O2 — CID 1446096

IUPAC6-amino-5-bromo-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(Br)c(=O)[nH]c1=O
InChIInChI=1S/C6H8BrN3O2/c1-2-10-4(8)3(7)5(11)9-6(10)12/h2,8H2,1H3,(H,9,11,12)
InChIKeyDVZWWTRLSAYQKE-UHFFFAOYSA-N
MW234.05 g/mol
LogP-0.10
Rot. Bonds1

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

6-amino-5-bromo-1-ethylpyrimidine-2,4-dione (PubChem CID 1446096) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 6-amino-5-bromo-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-bromo-1-ethylpyrimidine-2,4-dione
PubChem CID1446096
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name6-amino-5-bromo-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(Br)c(=O)[nH]c1=O
InChIInChI=1S/C6H8BrN3O2/c1-2-10-4(8)3(7)5(11)9-6(10)12/h2,8H2,1H3,(H,9,11,12)
InChIKeyDVZWWTRLSAYQKE-UHFFFAOYSA-N
XLogP-0.10
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 5-0.10
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-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-bromo-1-ethylpyrimidine-2,4-dione (CID 1446096) is 6-amino-5-bromo-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-bromo-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-bromo-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(Br)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-bromo-1-ethylpyrimidine-2,4-dione?
The InChIKey is DVZWWTRLSAYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c1-2-10-4(8)3(7)5(11)9-6(10)12/h2,8H2,1H3,(H,9,11,12).
What are the key properties of 6-amino-5-bromo-1-ethylpyrimidine-2,4-dione?
6-amino-5-bromo-1-ethylpyrimidine-2,4-dione has a molecular weight of 234.05 g/mol, XLogP of -0.10, 1 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-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 1446096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).