2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine

C16H23N5 — CID 80969729

IUPAC2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-11-8-6-7-9-12(11)18-13-10-14(21-17)20-15(19-13)16(2,3)4/h6-10H,5,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyRGPUKXDHIDHFNY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.37
Rot. Bonds4

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

2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80969729) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80969729
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-11-8-6-7-9-12(11)18-13-10-14(21-17)20-15(19-13)16(2,3)4/h6-10H,5,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyRGPUKXDHIDHFNY-UHFFFAOYSA-N
XLogP3.37
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.37
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-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
2-tert-butyl-N-(2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969498
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761502
N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80938024
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
6-chloro-N-(2-ethylphenyl)pyridin-2-amine
CID 63588591
4-N-(2-ethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871392
2-tert-butyl-N-(3,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968503
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112870595

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine (CID 80969729) is 2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine is CCc1ccccc1Nc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is RGPUKXDHIDHFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-11-8-6-7-9-12(11)18-13-10-14(21-17)20-15(19-13)16(2,3)4/h6-10H,5,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine?
2-tert-butyl-N-(2-ethylphenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.37, 4 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-ethylphenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80969729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).