4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C8H13F3N6 — CID 80900812

IUPAC4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCCN(CC(F)(F)F)c1cc(NN)nc(N)n1
InChIInChI=1S/C8H13F3N6/c1-2-17(4-8(9,10)11)6-3-5(16-13)14-7(12)15-6/h3H,2,4,13H2,1H3,(H3,12,14,15,16)
InChIKeyAGXGPOWEMZBVDF-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.73
Rot. Bonds4

About 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 80900812) has the molecular formula C8H13F3N6 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID80900812
Molecular FormulaC8H13F3N6
Molecular Weight250.23 g/mol
Exact Mass250.12
IUPAC Name4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCCN(CC(F)(F)F)c1cc(NN)nc(N)n1
InChIInChI=1S/C8H13F3N6/c1-2-17(4-8(9,10)11)6-3-5(16-13)14-7(12)15-6/h3H,2,4,13H2,1H3,(H3,12,14,15,16)
InChIKeyAGXGPOWEMZBVDF-UHFFFAOYSA-N
XLogP0.73
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 80900812) is 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is CCN(CC(F)(F)F)c1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is AGXGPOWEMZBVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N6/c1-2-17(4-8(9,10)11)6-3-5(16-13)14-7(12)15-6/h3H,2,4,13H2,1H3,(H3,12,14,15,16).
What are the key properties of 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 250.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-hydrazinyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80900812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).