2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde

C7H9N3O3 — CID 11701146

IUPAC2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCOc1nc(N)nc(OC)c1C=O
InChIInChI=1S/C7H9N3O3/c1-12-5-4(3-11)6(13-2)10-7(8)9-5/h3H,1-2H3,(H2,8,9,10)
InChIKeyJEEPPCAMFVMBIM-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.11
Rot. Bonds3

About 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde

2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde (PubChem CID 11701146) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde
PubChem CID11701146
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde
SMILESCOc1nc(N)nc(OC)c1C=O
InChIInChI=1S/C7H9N3O3/c1-12-5-4(3-11)6(13-2)10-7(8)9-5/h3H,1-2H3,(H2,8,9,10)
InChIKeyJEEPPCAMFVMBIM-UHFFFAOYSA-N
XLogP-0.11
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-4,6-dimethoxypyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde (CID 11701146) is 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde is COc1nc(N)nc(OC)c1C=O.
What is the InChIKey of 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde?
The InChIKey is JEEPPCAMFVMBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-12-5-4(3-11)6(13-2)10-7(8)9-5/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde?
2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde has a molecular weight of 183.17 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethoxypyrimidine-5-carbaldehyde is sourced from PubChem (CID 11701146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).