1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide

C9H12N4O — CID 83878053

IUPAC1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)n(C2CC2)c1=O
InChIInChI=1S/C9H12N4O/c1-5-12-4-7(8(10)11)9(14)13(5)6-2-3-6/h4,6H,2-3H2,1H3,(H3,10,11)
InChIKeyCCYFXGHTAXJGKK-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.17
Rot. Bonds2

About 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide

1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide (PubChem CID 83878053) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide
PubChem CID83878053
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)n(C2CC2)c1=O
InChIInChI=1S/C9H12N4O/c1-5-12-4-7(8(10)11)9(14)13(5)6-2-3-6/h4,6H,2-3H2,1H3,(H3,10,11)
InChIKeyCCYFXGHTAXJGKK-UHFFFAOYSA-N
XLogP0.17
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.17
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-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide?
The IUPAC name of 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide (CID 83878053) is 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide.
What is the SMILES notation for 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide?
The canonical SMILES for 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide is [H]/N=C(\N)c1cnc(C)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide?
The InChIKey is CCYFXGHTAXJGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5-12-4-7(8(10)11)9(14)13(5)6-2-3-6/h4,6H,2-3H2,1H3,(H3,10,11).
What are the key properties of 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide?
1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide has a molecular weight of 192.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-6-oxopyrimidine-5-carboximidamide is sourced from PubChem (CID 83878053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).