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

C11H16F3N5 — CID 80964095

IUPAC2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C11H16F3N5/c1-2-19(6-11(12,13)14)9-5-8(18-15)16-10(17-9)7-3-4-7/h5,7H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyYPPASXAQOCKUNX-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.03
Rot. Bonds5

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

2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80964095) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80964095
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C11H16F3N5/c1-2-19(6-11(12,13)14)9-5-8(18-15)16-10(17-9)7-3-4-7/h5,7H,2-4,6,15H2,1H3,(H,16,17,18)
InChIKeyYPPASXAQOCKUNX-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80964095) is 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCN(CC(F)(F)F)c1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is YPPASXAQOCKUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-2-19(6-11(12,13)14)9-5-8(18-15)16-10(17-9)7-3-4-7/h5,7H,2-4,6,15H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 275.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80964095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).