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

C9H14F3N5 — CID 80902323

IUPAC6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1cc(NN)ncn1
InChIInChI=1S/C9H14F3N5/c1-2-3-17(5-9(10,11)12)8-4-7(16-13)14-6-15-8/h4,6H,2-3,5,13H2,1H3,(H,14,15,16)
InChIKeyACXWEVZFJCCKCN-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.54
Rot. Bonds5

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

6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80902323) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80902323
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCN(CC(F)(F)F)c1cc(NN)ncn1
InChIInChI=1S/C9H14F3N5/c1-2-3-17(5-9(10,11)12)8-4-7(16-13)14-6-15-8/h4,6H,2-3,5,13H2,1H3,(H,14,15,16)
InChIKeyACXWEVZFJCCKCN-UHFFFAOYSA-N
XLogP1.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.54
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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Related Compounds

6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80964814
4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80814654
N-cyclopropyl-6-hydrazinyl-N-propylpyrimidin-4-amine
CID 80895552
5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80901339
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyrimidin-4-amine
CID 80896175
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 114870365
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495464
5-methyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80815609
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
6-fluoro-N,N-dipropylpyrimidin-4-amine
CID 115416385
5-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 107379383

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80902323) is 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCN(CC(F)(F)F)c1cc(NN)ncn1.
What is the InChIKey of 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is ACXWEVZFJCCKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-2-3-17(5-9(10,11)12)8-4-7(16-13)14-6-15-8/h4,6H,2-3,5,13H2,1H3,(H,14,15,16).
What are the key properties of 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80902323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).