2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide

C9H14N4O — CID 83878901

IUPAC2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnc(C)n(CC)c1=O
InChIInChI=1S/C9H14N4O/c1-3-13-6(2)12-5-7(9(13)14)4-8(10)11/h5H,3-4H2,1-2H3,(H3,10,11)
InChIKeyZCCUFOXUPPHRKI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.05
Rot. Bonds3

About 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide

2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide (PubChem CID 83878901) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide
PubChem CID83878901
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnc(C)n(CC)c1=O
InChIInChI=1S/C9H14N4O/c1-3-13-6(2)12-5-7(9(13)14)4-8(10)11/h5H,3-4H2,1-2H3,(H3,10,11)
InChIKeyZCCUFOXUPPHRKI-UHFFFAOYSA-N
XLogP0.05
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide?
The IUPAC name of 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide (CID 83878901) is 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide.
What is the SMILES notation for 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide?
The canonical SMILES for 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide is [H]/N=C(\N)Cc1cnc(C)n(CC)c1=O.
What is the InChIKey of 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide?
The InChIKey is ZCCUFOXUPPHRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-13-6(2)12-5-7(9(13)14)4-8(10)11/h5H,3-4H2,1-2H3,(H3,10,11).
What are the key properties of 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide?
2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide has a molecular weight of 194.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide is sourced from PubChem (CID 83878901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).