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

C13H15F2N5 — CID 80946886

IUPACN-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C13H15F2N5/c1-2-4-10-17-11(7-12(18-10)20-16)19-13-8(14)5-3-6-9(13)15/h3,5-7H,2,4,16H2,1H3,(H2,17,18,19,20)
InChIKeyDELZZDAEEDGJIB-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.74
Rot. Bonds5

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

N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (PubChem CID 80946886) has the molecular formula C13H15F2N5 and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
PubChem CID80946886
Molecular FormulaC13H15F2N5
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC NameN-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C13H15F2N5/c1-2-4-10-17-11(7-12(18-10)20-16)19-13-8(14)5-3-6-9(13)15/h3,5-7H,2,4,16H2,1H3,(H2,17,18,19,20)
InChIKeyDELZZDAEEDGJIB-UHFFFAOYSA-N
XLogP2.74
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.74
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'}

Analyze N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 83073478
2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969498
N-(3-ethylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947085
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346
6-hydrazinyl-N-(3-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947184
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745
4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954438
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine (CID 80946886) is N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(Nc2c(F)cccc2F)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
The InChIKey is DELZZDAEEDGJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5/c1-2-4-10-17-11(7-12(18-10)20-16)19-13-8(14)5-3-6-9(13)15/h3,5-7H,2,4,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine?
N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 2.74, 5 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-propylpyrimidin-4-amine is sourced from PubChem (CID 80946886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).