5-methyl-2,4-dioxopyrimidine-1-carboximidamide

C6H8N4O2 — CID 91606483

IUPAC5-methyl-2,4-dioxopyrimidine-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O2/c1-3-2-10(5(7)8)6(12)9-4(3)11/h2H,1H3,(H3,7,8)(H,9,11,12)
InChIKeyRBJQYCYDWSYGEY-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.41
Rot. Bonds

About 5-methyl-2,4-dioxopyrimidine-1-carboximidamide

5-methyl-2,4-dioxopyrimidine-1-carboximidamide (PubChem CID 91606483) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 5-methyl-2,4-dioxopyrimidine-1-carboximidamide.

Molecular Properties

Compound Name5-methyl-2,4-dioxopyrimidine-1-carboximidamide
PubChem CID91606483
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name5-methyl-2,4-dioxopyrimidine-1-carboximidamide
SMILES[H]/N=C(\N)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O2/c1-3-2-10(5(7)8)6(12)9-4(3)11/h2H,1H3,(H3,7,8)(H,9,11,12)
InChIKeyRBJQYCYDWSYGEY-UHFFFAOYSA-N
XLogP-1.41
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
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 5-methyl-2,4-dioxopyrimidine-1-carboximidamide?
The IUPAC name of 5-methyl-2,4-dioxopyrimidine-1-carboximidamide (CID 91606483) is 5-methyl-2,4-dioxopyrimidine-1-carboximidamide.
What is the SMILES notation for 5-methyl-2,4-dioxopyrimidine-1-carboximidamide?
The canonical SMILES for 5-methyl-2,4-dioxopyrimidine-1-carboximidamide is [H]/N=C(\N)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-2,4-dioxopyrimidine-1-carboximidamide?
The InChIKey is RBJQYCYDWSYGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-3-2-10(5(7)8)6(12)9-4(3)11/h2H,1H3,(H3,7,8)(H,9,11,12).
What are the key properties of 5-methyl-2,4-dioxopyrimidine-1-carboximidamide?
5-methyl-2,4-dioxopyrimidine-1-carboximidamide has a molecular weight of 168.16 g/mol, XLogP of -1.41, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dioxopyrimidine-1-carboximidamide is sourced from PubChem (CID 91606483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).