2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

C10H16F3N5 — CID 115523284

IUPAC2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-2-7-16-8(6-9(17-7)18-14)15-5-3-4-10(11,12)13/h6H,2-5,14H2,1H3,(H2,15,16,17,18)
InChIKeyRUFMJUFEAKJSQS-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.08
Rot. Bonds6

About 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (PubChem CID 115523284) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
PubChem CID115523284
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCCCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-2-7-16-8(6-9(17-7)18-14)15-5-3-4-10(11,12)13/h6H,2-5,14H2,1H3,(H2,15,16,17,18)
InChIKeyRUFMJUFEAKJSQS-UHFFFAOYSA-N
XLogP2.08
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (CID 115523284) is 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is CCc1nc(NN)cc(NCCCC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The InChIKey is RUFMJUFEAKJSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-2-7-16-8(6-9(17-7)18-14)15-5-3-4-10(11,12)13/h6H,2-5,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine has a molecular weight of 263.27 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is sourced from PubChem (CID 115523284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).