6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine

C16H22N6O2 — CID 23482737

IUPAC6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine
SMILESCCc1ccccc1Nc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C16H22N6O2/c1-5-11-8-6-7-9-12(11)19-14-13(22(23)24)15(18-10-17-14)20-21-16(2,3)4/h6-10,21H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyFHKZTENNZIHHCB-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.41
Rot. Bonds6

About 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine

6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine (PubChem CID 23482737) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine
PubChem CID23482737
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine
SMILESCCc1ccccc1Nc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C16H22N6O2/c1-5-11-8-6-7-9-12(11)19-14-13(22(23)24)15(18-10-17-14)20-21-16(2,3)4/h6-10,21H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyFHKZTENNZIHHCB-UHFFFAOYSA-N
XLogP3.41
TPSA105.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N,6-N-bis(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482571
4-N-(2-ethylphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23482591
6-N-(2-ethylphenyl)-4-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23482652
4-N-(2-bromophenyl)-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482676
4-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 2959709
4-N-(2-ethylphenyl)-6-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482682
4-N-(2-ethylphenyl)-6-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482572
6-N-(4-chlorophenyl)-4-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482683
4-N-(2-ethylphenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine
CID 23482685
6-(2-tert-butylhydrazinyl)-N-(2,3-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 22530966
N'-[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 23482730
6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
CID 23487405

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine (CID 23482737) is 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine is CCc1ccccc1Nc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine?
The InChIKey is FHKZTENNZIHHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-5-11-8-6-7-9-12(11)19-14-13(22(23)24)15(18-10-17-14)20-21-16(2,3)4/h6-10,21H,5H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine?
6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23482737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).