5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde

C9H13N3O3 — CID 46845047

IUPAC5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde
SMILESCOc1nc(C=O)c(N(C)C)c(OC)n1
InChIInChI=1S/C9H13N3O3/c1-12(2)7-6(5-13)10-9(15-4)11-8(7)14-3/h5H,1-4H3
InChIKeyCFIROWJEQHCENL-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.37
Rot. Bonds4

About 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde

5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde (PubChem CID 46845047) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde
PubChem CID46845047
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde
SMILESCOc1nc(C=O)c(N(C)C)c(OC)n1
InChIInChI=1S/C9H13N3O3/c1-12(2)7-6(5-13)10-9(15-4)11-8(7)14-3/h5H,1-4H3
InChIKeyCFIROWJEQHCENL-UHFFFAOYSA-N
XLogP0.37
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.37
H-Bond Donors ≤ 50
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 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde (CID 46845047) is 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde is COc1nc(C=O)c(N(C)C)c(OC)n1.
What is the InChIKey of 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde?
The InChIKey is CFIROWJEQHCENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-12(2)7-6(5-13)10-9(15-4)11-8(7)14-3/h5H,1-4H3.
What are the key properties of 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde?
5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde has a molecular weight of 211.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2,6-dimethoxypyrimidine-4-carbaldehyde is sourced from PubChem (CID 46845047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).