1-methyl-6-oxopyrimidine-5-carboximidamide

C6H8N4O — CID 83872563

IUPAC1-methyl-6-oxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncn(C)c1=O
InChIInChI=1S/C6H8N4O/c1-10-3-9-2-4(5(7)8)6(10)11/h2-3H,1H3,(H3,7,8)
InChIKeyJZEOIFBCJQOEKI-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.94
Rot. Bonds1

About 1-methyl-6-oxopyrimidine-5-carboximidamide

1-methyl-6-oxopyrimidine-5-carboximidamide (PubChem CID 83872563) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 1-methyl-6-oxopyrimidine-5-carboximidamide.

Molecular Properties

Compound Name1-methyl-6-oxopyrimidine-5-carboximidamide
PubChem CID83872563
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name1-methyl-6-oxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncn(C)c1=O
InChIInChI=1S/C6H8N4O/c1-10-3-9-2-4(5(7)8)6(10)11/h2-3H,1H3,(H3,7,8)
InChIKeyJZEOIFBCJQOEKI-UHFFFAOYSA-N
XLogP-0.94
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.94
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-methyl-6-oxopyrimidine-5-carboximidamide?
The IUPAC name of 1-methyl-6-oxopyrimidine-5-carboximidamide (CID 83872563) is 1-methyl-6-oxopyrimidine-5-carboximidamide.
What is the SMILES notation for 1-methyl-6-oxopyrimidine-5-carboximidamide?
The canonical SMILES for 1-methyl-6-oxopyrimidine-5-carboximidamide is [H]/N=C(\N)c1cncn(C)c1=O.
What is the InChIKey of 1-methyl-6-oxopyrimidine-5-carboximidamide?
The InChIKey is JZEOIFBCJQOEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-10-3-9-2-4(5(7)8)6(10)11/h2-3H,1H3,(H3,7,8).
What are the key properties of 1-methyl-6-oxopyrimidine-5-carboximidamide?
1-methyl-6-oxopyrimidine-5-carboximidamide has a molecular weight of 152.16 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxopyrimidine-5-carboximidamide is sourced from PubChem (CID 83872563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).