4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde

C8H10N2O3 — CID 45117376

IUPAC4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde
SMILESCOc1nc(C)nc(OC)c1C=O
InChIInChI=1S/C8H10N2O3/c1-5-9-7(12-2)6(4-11)8(10-5)13-3/h4H,1-3H3
InChIKeyYDYGOXJVGCZUGE-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.61
Rot. Bonds3

About 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde

4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde (PubChem CID 45117376) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde
PubChem CID45117376
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde
SMILESCOc1nc(C)nc(OC)c1C=O
InChIInChI=1S/C8H10N2O3/c1-5-9-7(12-2)6(4-11)8(10-5)13-3/h4H,1-3H3
InChIKeyYDYGOXJVGCZUGE-UHFFFAOYSA-N
XLogP0.61
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.61
H-Bond Donors ≤ 50
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 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde (CID 45117376) is 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde is COc1nc(C)nc(OC)c1C=O.
What is the InChIKey of 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is YDYGOXJVGCZUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-9-7(12-2)6(4-11)8(10-5)13-3/h4H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde?
4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 182.18 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 45117376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).