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

C9H12F3N5 — CID 80900325

IUPACN-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESNNc1cc(N(CC(F)(F)F)C2CC2)ncn1
InChIInChI=1S/C9H12F3N5/c10-9(11,12)4-17(6-1-2-6)8-3-7(16-13)14-5-15-8/h3,5-6H,1-2,4,13H2,(H,14,15,16)
InChIKeyYOUYSUNUFRAZDN-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.29
Rot. Bonds4

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

N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80900325) has the molecular formula C9H12F3N5 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80900325
Molecular FormulaC9H12F3N5
Molecular Weight247.22 g/mol
Exact Mass247.10
IUPAC NameN-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESNNc1cc(N(CC(F)(F)F)C2CC2)ncn1
InChIInChI=1S/C9H12F3N5/c10-9(11,12)4-17(6-1-2-6)8-3-7(16-13)14-5-15-8/h3,5-6H,1-2,4,13H2,(H,14,15,16)
InChIKeyYOUYSUNUFRAZDN-UHFFFAOYSA-N
XLogP1.29
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.29
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 N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80900325) is N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is NNc1cc(N(CC(F)(F)F)C2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is YOUYSUNUFRAZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5/c10-9(11,12)4-17(6-1-2-6)8-3-7(16-13)14-5-15-8/h3,5-6H,1-2,4,13H2,(H,14,15,16).
What are the key properties of N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 247.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80900325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).