4-ethyl-N-methoxypyrimidine-5-carboxamide

C8H11N3O2 — CID 130991563

IUPAC4-ethyl-N-methoxypyrimidine-5-carboxamide
SMILESCCc1ncncc1C(=O)NOC
InChIInChI=1S/C8H11N3O2/c1-3-7-6(4-9-5-10-7)8(12)11-13-2/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyHWSBMXXDEDFEAZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.33
Rot. Bonds3

About 4-ethyl-N-methoxypyrimidine-5-carboxamide

4-ethyl-N-methoxypyrimidine-5-carboxamide (PubChem CID 130991563) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-ethyl-N-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methoxypyrimidine-5-carboxamide
PubChem CID130991563
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-ethyl-N-methoxypyrimidine-5-carboxamide
SMILESCCc1ncncc1C(=O)NOC
InChIInChI=1S/C8H11N3O2/c1-3-7-6(4-9-5-10-7)8(12)11-13-2/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyHWSBMXXDEDFEAZ-UHFFFAOYSA-N
XLogP0.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methoxypyrimidine-5-carboxamide?
The IUPAC name of 4-ethyl-N-methoxypyrimidine-5-carboxamide (CID 130991563) is 4-ethyl-N-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methoxypyrimidine-5-carboxamide is CCc1ncncc1C(=O)NOC.
What is the InChIKey of 4-ethyl-N-methoxypyrimidine-5-carboxamide?
The InChIKey is HWSBMXXDEDFEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-7-6(4-9-5-10-7)8(12)11-13-2/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-N-methoxypyrimidine-5-carboxamide?
4-ethyl-N-methoxypyrimidine-5-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 130991563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).