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

C11H16F3N5 — CID 80937214

IUPACN-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H16F3N5/c1-2-8-16-9(18-15)5-10(17-8)19(7-3-4-7)6-11(12,13)14/h5,7H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyBKAKLMOGHJLOOO-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.86
Rot. Bonds5

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

N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80937214) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80937214
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC NameN-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H16F3N5/c1-2-8-16-9(18-15)5-10(17-8)19(7-3-4-7)6-11(12,13)14/h5,7H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyBKAKLMOGHJLOOO-UHFFFAOYSA-N
XLogP1.86
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80937214) is N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCc1nc(NN)cc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is BKAKLMOGHJLOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-2-8-16-9(18-15)5-10(17-8)19(7-3-4-7)6-11(12,13)14/h5,7H,2-4,6,15H2,1H3,(H,16,17,18).
What are the key properties of N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 275.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80937214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).