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

C8H12F3N5 — CID 80899433

IUPAC6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(NN)cc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c1-5-13-6(15-12)3-7(14-5)16(2)4-8(9,10)11/h3H,4,12H2,1-2H3,(H,13,14,15)
InChIKeyMDCWFDWZJLPZSN-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.07
Rot. Bonds3

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

6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80899433) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80899433
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC Name6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCc1nc(NN)cc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c1-5-13-6(15-12)3-7(14-5)16(2)4-8(9,10)11/h3H,4,12H2,1-2H3,(H,13,14,15)
InChIKeyMDCWFDWZJLPZSN-UHFFFAOYSA-N
XLogP1.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.07
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 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80899433) is 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is Cc1nc(NN)cc(N(C)CC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is MDCWFDWZJLPZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c1-5-13-6(15-12)3-7(14-5)16(2)4-8(9,10)11/h3H,4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N,2-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80899433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).