5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C7H9F4N5 — CID 80914648

IUPAC5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESNNc1ncc(F)c(NCCC(F)(F)F)n1
InChIInChI=1S/C7H9F4N5/c8-4-3-14-6(16-12)15-5(4)13-2-1-7(9,10)11/h3H,1-2,12H2,(H2,13,14,15,16)
InChIKeyVBHOLIZGCUKSBB-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.27
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 80914648) has the molecular formula C7H9F4N5 and a molecular weight of 239.18 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID80914648
Molecular FormulaC7H9F4N5
Molecular Weight239.18 g/mol
Exact Mass239.08
IUPAC Name5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESNNc1ncc(F)c(NCCC(F)(F)F)n1
InChIInChI=1S/C7H9F4N5/c8-4-3-14-6(16-12)15-5(4)13-2-1-7(9,10)11/h3H,1-2,12H2,(H2,13,14,15,16)
InChIKeyVBHOLIZGCUKSBB-UHFFFAOYSA-N
XLogP1.27
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.27
H-Bond Donors ≤ 53
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

5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80919063
5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767471
5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914697
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
4-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138848
N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605
N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914834
N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80917949
2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83026990
5-fluoro-2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
CID 80846653
5-fluoro-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899165

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 80914648) is 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is NNc1ncc(F)c(NCCC(F)(F)F)n1.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is VBHOLIZGCUKSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N5/c8-4-3-14-6(16-12)15-5(4)13-2-1-7(9,10)11/h3H,1-2,12H2,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 239.18 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 80914648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).