N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine

C11H11F2N5 — CID 80921095

IUPACN-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2c(F)cccc2F)nc(NN)n1
InChIInChI=1S/C11H11F2N5/c1-6-5-9(17-11(15-6)18-14)16-10-7(12)3-2-4-8(10)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyCIFFITDQYGSXPT-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.09
Rot. Bonds3

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

N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine (PubChem CID 80921095) has the molecular formula C11H11F2N5 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
PubChem CID80921095
Molecular FormulaC11H11F2N5
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC NameN-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2c(F)cccc2F)nc(NN)n1
InChIInChI=1S/C11H11F2N5/c1-6-5-9(17-11(15-6)18-14)16-10-7(12)3-2-4-8(10)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyCIFFITDQYGSXPT-UHFFFAOYSA-N
XLogP2.09
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.09
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

4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928360
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
2-N-(4-chloro-2-methylphenyl)-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930077
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919313
N-[4-[[4-(2,6-difluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931571
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80930783
2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909035

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine (CID 80921095) is N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine is Cc1cc(Nc2c(F)cccc2F)nc(NN)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
The InChIKey is CIFFITDQYGSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5/c1-6-5-9(17-11(15-6)18-14)16-10-7(12)3-2-4-8(10)13/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine?
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine has a molecular weight of 251.24 g/mol, XLogP of 2.09, 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)-2-hydrazinyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80921095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).