6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine

C12H15N5O2S2 — CID 80913186

IUPAC6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N5O2S2/c1-20-12-15-10(7-11(16-12)17-13)14-8-3-5-9(6-4-8)21(2,18)19/h3-7H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyRYZYWEHMWGKOGY-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.63
Rot. Bonds5

About 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine

6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 80913186) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
PubChem CID80913186
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC Name6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H15N5O2S2/c1-20-12-15-10(7-11(16-12)17-13)14-8-3-5-9(6-4-8)21(2,18)19/h3-7H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyRYZYWEHMWGKOGY-UHFFFAOYSA-N
XLogP1.63
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine (CID 80913186) is 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine is CSc1nc(NN)cc(Nc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is RYZYWEHMWGKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-20-12-15-10(7-11(16-12)17-13)14-8-3-5-9(6-4-8)21(2,18)19/h3-7H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80913186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).