N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine

C12H12F3N5 — CID 80919063

IUPACN-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F3N5/c13-8-3-7(4-9(14)5-8)1-2-17-11-10(15)6-18-12(19-11)20-16/h3-6H,1-2,16H2,(H2,17,18,19,20)
InChIKeyBQXVGRJKBGMNMO-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80919063) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80919063
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F3N5/c13-8-3-7(4-9(14)5-8)1-2-17-11-10(15)6-18-12(19-11)20-16/h3-6H,1-2,16H2,(H2,17,18,19,20)
InChIKeyBQXVGRJKBGMNMO-UHFFFAOYSA-N
XLogP1.83
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.83
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-bromo-N-[2-(3,5-difluorophenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80918985
5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80914648
5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80803729
2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
CID 55093624
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-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
5-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 79073377
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
4-N-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80794050

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80919063) is N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine is NNc1ncc(F)c(NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is BQXVGRJKBGMNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c13-8-3-7(4-9(14)5-8)1-2-17-11-10(15)6-18-12(19-11)20-16/h3-6H,1-2,16H2,(H2,17,18,19,20).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 283.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80919063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).