2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide

C9H14N4O — CID 83878902

IUPAC2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)n(C(C)C)c1=O
InChIInChI=1S/C9H14N4O/c1-5(2)13-6(3)12-4-7(8(10)11)9(13)14/h4-5H,1-3H3,(H3,10,11)
InChIKeyWZIQZEUBBMVACI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.42
Rot. Bonds2

About 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide

2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide (PubChem CID 83878902) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide
PubChem CID83878902
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)n(C(C)C)c1=O
InChIInChI=1S/C9H14N4O/c1-5(2)13-6(3)12-4-7(8(10)11)9(13)14/h4-5H,1-3H3,(H3,10,11)
InChIKeyWZIQZEUBBMVACI-UHFFFAOYSA-N
XLogP0.42
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.42
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-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide?
The IUPAC name of 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide (CID 83878902) is 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide.
What is the SMILES notation for 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide?
The canonical SMILES for 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide is [H]/N=C(\N)c1cnc(C)n(C(C)C)c1=O.
What is the InChIKey of 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide?
The InChIKey is WZIQZEUBBMVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5(2)13-6(3)12-4-7(8(10)11)9(13)14/h4-5H,1-3H3,(H3,10,11).
What are the key properties of 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide?
2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide is sourced from PubChem (CID 83878902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).