1-cyclopropyl-6-oxopyrimidine-5-carboximidamide

C8H10N4O — CID 83874845

IUPAC1-cyclopropyl-6-oxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncn(C2CC2)c1=O
InChIInChI=1S/C8H10N4O/c9-7(10)6-3-11-4-12(8(6)13)5-1-2-5/h3-5H,1-2H2,(H3,9,10)
InChIKeyUWNJMFOHWZUZOL-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.14
Rot. Bonds2

About 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide

1-cyclopropyl-6-oxopyrimidine-5-carboximidamide (PubChem CID 83874845) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide.

Molecular Properties

Compound Name1-cyclopropyl-6-oxopyrimidine-5-carboximidamide
PubChem CID83874845
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-cyclopropyl-6-oxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncn(C2CC2)c1=O
InChIInChI=1S/C8H10N4O/c9-7(10)6-3-11-4-12(8(6)13)5-1-2-5/h3-5H,1-2H2,(H3,9,10)
InChIKeyUWNJMFOHWZUZOL-UHFFFAOYSA-N
XLogP-0.14
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.14
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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Related Compounds

2-Amino-8-ethylpyrimido[4,5-d]pyrimidin-4-one
CID 9990111
1-Methyl-6-oxopyrimidine-5-carboximidamide
CID 83872563
5-(Aminomethyl)-3-cyclopropylpyrimidin-4-one
CID 83873297
1,2-Dimethyl-6-oxopyrimidine-5-carboximidamide
CID 83873457
3-Cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83875107
5-(Aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
CID 83875119
1-Ethyl-2-methyl-6-oxopyrimidine-5-carboximidamide
CID 83875416
6-Oxo-1-propan-2-ylpyrimidine-5-carboximidamide
CID 83875417
1-Cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide
CID 83878053
3-Cyclopropyl-2-methyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83878411
1-cyclopropyl-N'-hydroxy-6-oxopyrimidine-5-carboximidamide
CID 83878714
2-Methyl-6-oxo-1-propan-2-ylpyrimidine-5-carboximidamide
CID 83878902

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide?
The IUPAC name of 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide (CID 83874845) is 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide.
What is the SMILES notation for 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide?
The canonical SMILES for 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide is [H]/N=C(\N)c1cncn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide?
The InChIKey is UWNJMFOHWZUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-7(10)6-3-11-4-12(8(6)13)5-1-2-5/h3-5H,1-2H2,(H3,9,10).
What are the key properties of 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide?
1-cyclopropyl-6-oxopyrimidine-5-carboximidamide has a molecular weight of 178.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-oxopyrimidine-5-carboximidamide is sourced from PubChem (CID 83874845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).