N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

C12H18F3N5 — CID 114567034

IUPACN-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCCN(c1cc(C(F)(F)F)nc(NN)n1)C1CC1
InChIInChI=1S/C12H18F3N5/c1-2-3-6-20(8-4-5-8)10-7-9(12(13,14)15)17-11(18-10)19-16/h7-8H,2-6,16H2,1H3,(H,17,18,19)
InChIKeyIUXDOMPYHMPVGQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.55
Rot. Bonds6

About N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567034) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567034
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC NameN-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCCN(c1cc(C(F)(F)F)nc(NN)n1)C1CC1
InChIInChI=1S/C12H18F3N5/c1-2-3-6-20(8-4-5-8)10-7-9(12(13,14)15)17-11(18-10)19-16/h7-8H,2-6,16H2,1H3,(H,17,18,19)
InChIKeyIUXDOMPYHMPVGQ-UHFFFAOYSA-N
XLogP2.55
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.55
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-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567034) is N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is CCCCN(c1cc(C(F)(F)F)nc(NN)n1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IUXDOMPYHMPVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-2-3-6-20(8-4-5-8)10-7-9(12(13,14)15)17-11(18-10)19-16/h7-8H,2-6,16H2,1H3,(H,17,18,19).
What are the key properties of N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).