2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine

C14H17F2N5 — CID 80968503

IUPAC2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H17F2N5/c1-14(2,3)13-19-11(7-12(20-13)21-17)18-10-5-8(15)4-9(16)6-10/h4-7H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyMTIWXAWBHBUXSF-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.08
Rot. Bonds3

About 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine

2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80968503) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80968503
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H17F2N5/c1-14(2,3)13-19-11(7-12(20-13)21-17)18-10-5-8(15)4-9(16)6-10/h4-7H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyMTIWXAWBHBUXSF-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'}

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Related Compounds

2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969498
2-tert-butyl-6-chloro-N-(3-fluoro-5-methylphenyl)pyrimidin-4-amine
CID 80951235
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
2-tert-butyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955468
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80969827
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209
2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969729
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
2-tert-butyl-4-N-(3,4-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956391
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (CID 80968503) is 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is CC(C)(C)c1nc(NN)cc(Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is MTIWXAWBHBUXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c1-14(2,3)13-19-11(7-12(20-13)21-17)18-10-5-8(15)4-9(16)6-10/h4-7H,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
2-tert-butyl-N-(3,5-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-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80968503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).