2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde

C6H6BrN3O2 — CID 88845179

IUPAC2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde
SMILESCc1c(Br)c(=O)nc(N)n1C=O
InChIInChI=1S/C6H6BrN3O2/c1-3-4(7)5(12)9-6(8)10(3)2-11/h2H,1H3,(H2,8,9,12)
InChIKeyROHYBRUVQBILTQ-UHFFFAOYSA-N
MW232.04 g/mol
LogP-0.07
Rot. Bonds1

About 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde

2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde (PubChem CID 88845179) has the molecular formula C6H6BrN3O2 and a molecular weight of 232.04 g/mol. Its IUPAC name is 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde
PubChem CID88845179
Molecular FormulaC6H6BrN3O2
Molecular Weight232.04 g/mol
Exact Mass230.96
IUPAC Name2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde
SMILESCc1c(Br)c(=O)nc(N)n1C=O
InChIInChI=1S/C6H6BrN3O2/c1-3-4(7)5(12)9-6(8)10(3)2-11/h2H,1H3,(H2,8,9,12)
InChIKeyROHYBRUVQBILTQ-UHFFFAOYSA-N
XLogP-0.07
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde?
The IUPAC name of 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde (CID 88845179) is 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde.
What is the SMILES notation for 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde?
The canonical SMILES for 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde is Cc1c(Br)c(=O)nc(N)n1C=O.
What is the InChIKey of 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde?
The InChIKey is ROHYBRUVQBILTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c1-3-4(7)5(12)9-6(8)10(3)2-11/h2H,1H3,(H2,8,9,12).
What are the key properties of 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde?
2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde has a molecular weight of 232.04 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-6-methyl-4-oxopyrimidine-1-carbaldehyde is sourced from PubChem (CID 88845179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).