2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine

C14H17F2N5 — CID 80969498

IUPAC2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C14H17F2N5/c1-14(2,3)13-19-10(7-11(20-13)21-17)18-12-8(15)5-4-6-9(12)16/h4-7H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyRGEKFRYNFBJJLZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.08
Rot. Bonds3

About 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine

2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80969498) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80969498
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C14H17F2N5/c1-14(2,3)13-19-10(7-11(20-13)21-17)18-12-8(15)5-4-6-9(12)16/h4-7H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyRGEKFRYNFBJJLZ-UHFFFAOYSA-N
XLogP3.08
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.08
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 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-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-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946886
2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968503
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80969827
2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969729
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyridin-2-amine
CID 80931237
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (CID 80969498) is 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is CC(C)(C)c1nc(NN)cc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is RGEKFRYNFBJJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c1-14(2,3)13-19-10(7-11(20-13)21-17)18-12-8(15)5-4-6-9(12)16/h4-7H,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 293.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80969498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).