1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine

C17H18N6O2S — CID 22537586

IUPAC1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-]
InChIInChI=1S/C17H18N6O2S/c1-17(2,3)22-21-15-14(23(24)25)16(20-10-19-15)26-12-8-4-6-11-7-5-9-18-13(11)12/h4-10,22H,1-3H3,(H,19,20,21)
InChIKeyUVGPPKDRLZKZTP-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.80
Rot. Bonds5

About 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine

1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 22537586) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID22537586
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-]
InChIInChI=1S/C17H18N6O2S/c1-17(2,3)22-21-15-14(23(24)25)16(20-10-19-15)26-12-8-4-6-11-7-5-9-18-13(11)12/h4-10,22H,1-3H3,(H,19,20,21)
InChIKeyUVGPPKDRLZKZTP-UHFFFAOYSA-N
XLogP3.80
TPSA105.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-(6-methyl-2-pyridinyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine
CID 23480980
N-(3,4-dimethylphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine
CID 23484982
5-nitro-6-quinolin-8-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22538596
N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide
CID 22535072
4,5-dimethyl-N-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 22534012
N-[(4-methoxyphenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine
CID 23494750
methyl 4-[(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)amino]benzoate
CID 22533805
N-(4-chloro-2-methylphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine
CID 23485196
N-[(2-chlorophenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine
CID 22538972
8-(6-ethoxy-5-nitropyrimidin-4-yl)sulfanylquinoline
CID 22537288
N,N-diethyl-4-[(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)amino]benzenesulfonamide
CID 22527927
N-butyl-N-methyl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine
CID 23491870

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine (CID 22537586) is 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine is CC(C)(C)NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-].
What is the InChIKey of 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is UVGPPKDRLZKZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-17(2,3)22-21-15-14(23(24)25)16(20-10-19-15)26-12-8-4-6-11-7-5-9-18-13(11)12/h4-10,22H,1-3H3,(H,19,20,21).
What are the key properties of 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine?
1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 370.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 22537586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).