4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide

C9H12N4O — CID 83677970

IUPAC4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1c(OC)ncnc1C1CC1
InChIInChI=1S/C9H12N4O/c1-14-9-6(8(10)11)7(5-2-3-5)12-4-13-9/h4-5H,2-3H2,1H3,(H3,10,11)
InChIKeyVELAYFMKNPUBJG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.65
Rot. Bonds3

About 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide

4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide (PubChem CID 83677970) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide
PubChem CID83677970
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1c(OC)ncnc1C1CC1
InChIInChI=1S/C9H12N4O/c1-14-9-6(8(10)11)7(5-2-3-5)12-4-13-9/h4-5H,2-3H2,1H3,(H3,10,11)
InChIKeyVELAYFMKNPUBJG-UHFFFAOYSA-N
XLogP0.65
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.65
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 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide?
The IUPAC name of 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide (CID 83677970) is 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide.
What is the SMILES notation for 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide?
The canonical SMILES for 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide is [H]/N=C(\N)c1c(OC)ncnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide?
The InChIKey is VELAYFMKNPUBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-14-9-6(8(10)11)7(5-2-3-5)12-4-13-9/h4-5H,2-3H2,1H3,(H3,10,11).
What are the key properties of 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide?
4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide has a molecular weight of 192.22 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methoxypyrimidine-5-carboximidamide is sourced from PubChem (CID 83677970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).