6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine

C9H18N6S — CID 112668103

IUPAC6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCSCC(C)N(C)c1cc(NN)nc(N)n1
InChIInChI=1S/C9H18N6S/c1-6(5-16-3)15(2)8-4-7(14-11)12-9(10)13-8/h4,6H,5,11H2,1-3H3,(H3,10,12,13,14)
InChIKeyDKSFWWQNLXWZOH-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.53
Rot. Bonds5

About 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 112668103) has the molecular formula C9H18N6S and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID112668103
Molecular FormulaC9H18N6S
Molecular Weight242.35 g/mol
Exact Mass242.13
IUPAC Name6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCSCC(C)N(C)c1cc(NN)nc(N)n1
InChIInChI=1S/C9H18N6S/c1-6(5-16-3)15(2)8-4-7(14-11)12-9(10)13-8/h4,6H,5,11H2,1-3H3,(H3,10,12,13,14)
InChIKeyDKSFWWQNLXWZOH-UHFFFAOYSA-N
XLogP0.53
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.53
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-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80908741
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80919266
6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871833
4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115744810
6-hydrazinyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 82965494
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80895894
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737
4-N-(2,2-dimethylpropyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80903569
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80896120
4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80895944

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine (CID 112668103) is 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine is CSCC(C)N(C)c1cc(NN)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is DKSFWWQNLXWZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6S/c1-6(5-16-3)15(2)8-4-7(14-11)12-9(10)13-8/h4,6H,5,11H2,1-3H3,(H3,10,12,13,14).
What are the key properties of 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 242.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112668103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).