1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C13H18N6S — CID 106761138

IUPAC1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCSc1nc(NN)cc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C13H18N6S/c1-19(2)10-7-5-4-6-9(10)15-11-8-12(18-14)17-13(16-11)20-3/h4-8H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyZZNJYIFGQOMXKS-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.29
Rot. Bonds5

About 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106761138) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106761138
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCSc1nc(NN)cc(Nc2ccccc2N(C)C)n1
InChIInChI=1S/C13H18N6S/c1-19(2)10-7-5-4-6-9(10)15-11-8-12(18-14)17-13(16-11)20-3/h4-8H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyZZNJYIFGQOMXKS-UHFFFAOYSA-N
XLogP2.29
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.29
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

1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761121
N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)quinolin-8-amine
CID 80912895
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80920038
6-hydrazinyl-N-(2-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107647320
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80763261
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
3-bromo-4-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile
CID 107795536
N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761502
4-N-[2-(dimethylamino)phenyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 106761041

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106761138) is 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CSc1nc(NN)cc(Nc2ccccc2N(C)C)n1.
What is the InChIKey of 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is ZZNJYIFGQOMXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-19(2)10-7-5-4-6-9(10)15-11-8-12(18-14)17-13(16-11)20-3/h4-8H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 290.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106761138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).