N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine

C12H13F2N5 — CID 80920659

IUPACN-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(Nc2c(F)cccc2F)n1
InChIInChI=1S/C12H13F2N5/c1-6-11(16-7(2)17-12(6)19-15)18-10-8(13)4-3-5-9(10)14/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyAQQYGSYDZDXZLV-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.40
Rot. Bonds3

About N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine

N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80920659) has the molecular formula C12H13F2N5 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80920659
Molecular FormulaC12H13F2N5
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(Nc2c(F)cccc2F)n1
InChIInChI=1S/C12H13F2N5/c1-6-11(16-7(2)17-12(6)19-15)18-10-8(13)4-3-5-9(10)14/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyAQQYGSYDZDXZLV-UHFFFAOYSA-N
XLogP2.40
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.40
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

N-(4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80927488
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 83082819
N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80921030
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928246
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
4-N-(2,6-difluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80754871
N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
CID 80930024
N-(2,4-dimethylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928326
N-(3,4-dichlorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80926306
N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 107855070
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (CID 80920659) is N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is Cc1nc(NN)c(C)c(Nc2c(F)cccc2F)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is AQQYGSYDZDXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5/c1-6-11(16-7(2)17-12(6)19-15)18-10-8(13)4-3-5-9(10)14/h3-5H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 265.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80920659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).