N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine

C14H14N6S — CID 80912895

IUPACN-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine
SMILESCSc1nc(NN)cc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C14H14N6S/c1-21-14-18-11(8-12(19-14)20-15)17-10-6-2-4-9-5-3-7-16-13(9)10/h2-8H,15H2,1H3,(H2,17,18,19,20)
InChIKeyUYSICHHLPYVNKT-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.78
Rot. Bonds4

About N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine

N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine (PubChem CID 80912895) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine.

Molecular Properties

Compound NameN-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine
PubChem CID80912895
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC NameN-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine
SMILESCSc1nc(NN)cc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C14H14N6S/c1-21-14-18-11(8-12(19-14)20-15)17-10-6-2-4-9-5-3-7-16-13(9)10/h2-8H,15H2,1H3,(H2,17,18,19,20)
InChIKeyUYSICHHLPYVNKT-UHFFFAOYSA-N
XLogP2.78
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761138
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
N-pyridin-2-ylquinolin-8-amine
CID 82537542
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80920038
6-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 79021158
N-(5-bromo-6-methyl-2-pyridinyl)quinolin-8-amine
CID 114047460
2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
CID 43148647
N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)quinolin-5-amine
CID 80544634
N-(3-ethoxyphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80905693
6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112877598
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112867081

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine?
The IUPAC name of N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine (CID 80912895) is N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine.
What is the SMILES notation for N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine?
The canonical SMILES for N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine is CSc1nc(NN)cc(Nc2cccc3cccnc23)n1.
What is the InChIKey of N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine?
The InChIKey is UYSICHHLPYVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c1-21-14-18-11(8-12(19-14)20-15)17-10-6-2-4-9-5-3-7-16-13(9)10/h2-8H,15H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine?
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine has a molecular weight of 298.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine is sourced from PubChem (CID 80912895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).