1,2-dimethyl-6-oxopyrimidine-5-carboximidamide

C7H10N4O — CID 83873457

IUPAC1,2-dimethyl-6-oxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)n(C)c1=O
InChIInChI=1S/C7H10N4O/c1-4-10-3-5(6(8)9)7(12)11(4)2/h3H,1-2H3,(H3,8,9)
InChIKeyYKOHCBSTPJUMRK-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.63
Rot. Bonds1

About 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide

1,2-dimethyl-6-oxopyrimidine-5-carboximidamide (PubChem CID 83873457) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide.

Molecular Properties

Compound Name1,2-dimethyl-6-oxopyrimidine-5-carboximidamide
PubChem CID83873457
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1,2-dimethyl-6-oxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)n(C)c1=O
InChIInChI=1S/C7H10N4O/c1-4-10-3-5(6(8)9)7(12)11(4)2/h3H,1-2H3,(H3,8,9)
InChIKeyYKOHCBSTPJUMRK-UHFFFAOYSA-N
XLogP-0.63
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.63
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 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide?
The IUPAC name of 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide (CID 83873457) is 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide.
What is the SMILES notation for 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide?
The canonical SMILES for 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide is [H]/N=C(\N)c1cnc(C)n(C)c1=O.
What is the InChIKey of 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide?
The InChIKey is YKOHCBSTPJUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-4-10-3-5(6(8)9)7(12)11(4)2/h3H,1-2H3,(H3,8,9).
What are the key properties of 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide?
1,2-dimethyl-6-oxopyrimidine-5-carboximidamide has a molecular weight of 166.18 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-oxopyrimidine-5-carboximidamide is sourced from PubChem (CID 83873457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).