4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine

C13H19F2N5 — CID 139314157

IUPAC4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
SMILES[H]/N=C(\C1CC(C)(C)CC(F)(F)C1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C13H19F2N5/c1-12(2)5-8(6-13(14,15)7-12)10(17)20-4-3-19-9(16)11(20)18/h3-4,8,17-18H,5-7H2,1-2H3,(H2,16,19)/b17-10+,18-11+
InChIKeyQJQWOYXDLQGQOA-ODPUSEOTSA-N
MW283.33 g/mol
LogP2.23
Rot. Bonds1

About 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine

4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine (PubChem CID 139314157) has the molecular formula C13H19F2N5 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine.

Molecular Properties

Compound Name4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
PubChem CID139314157
Molecular FormulaC13H19F2N5
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
SMILES[H]/N=C(\C1CC(C)(C)CC(F)(F)C1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C13H19F2N5/c1-12(2)5-8(6-13(14,15)7-12)10(17)20-4-3-19-9(16)11(20)18/h3-4,8,17-18H,5-7H2,1-2H3,(H2,16,19)/b17-10+,18-11+
InChIKeyQJQWOYXDLQGQOA-ODPUSEOTSA-N
XLogP2.23
TPSA91.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The IUPAC name of 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine (CID 139314157) is 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine.
What is the SMILES notation for 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The canonical SMILES for 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine is [H]/N=C(\C1CC(C)(C)CC(F)(F)C1)n1ccnc(N)/c1=N\[H].
What is the InChIKey of 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The InChIKey is QJQWOYXDLQGQOA-ODPUSEOTSA-N. The full InChI is InChI=1S/C13H19F2N5/c1-12(2)5-8(6-13(14,15)7-12)10(17)20-4-3-19-9(16)11(20)18/h3-4,8,17-18H,5-7H2,1-2H3,(H2,16,19)/b17-10+,18-11+.
What are the key properties of 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine is sourced from PubChem (CID 139314157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).