[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine

C12H16N6S2 — CID 80929796

IUPAC[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C12H16N6S2/c1-6-7(2)14-12(15-8(6)3)20-10-5-9(18-13)16-11(17-10)19-4/h5H,13H2,1-4H3,(H,16,17,18)
InChIKeySDBHYOIWEBVWDK-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.35
Rot. Bonds4

About [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80929796) has the molecular formula C12H16N6S2 and a molecular weight of 308.44 g/mol. Its IUPAC name is [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID80929796
Molecular FormulaC12H16N6S2
Molecular Weight308.44 g/mol
Exact Mass308.09
IUPAC Name[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C12H16N6S2/c1-6-7(2)14-12(15-8(6)3)20-10-5-9(18-13)16-11(17-10)19-4/h5H,13H2,1-4H3,(H,16,17,18)
InChIKeySDBHYOIWEBVWDK-UHFFFAOYSA-N
XLogP2.35
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
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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Related Compounds

2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80890698
2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80545968
[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80929840
[6-(2-methylpropylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80925282
[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80927316
[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
CID 80920019
2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80924203
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785469
[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902171
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
N-(3,5-dichlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80927041
(2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88738544

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine (CID 80929796) is [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is SDBHYOIWEBVWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S2/c1-6-7(2)14-12(15-8(6)3)20-10-5-9(18-13)16-11(17-10)19-4/h5H,13H2,1-4H3,(H,16,17,18).
What are the key properties of [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 308.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80929796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).