[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C13H13N5S2 — CID 80927316

IUPAC[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C13H13N5S2/c1-19-13-16-10(18-14)7-12(17-13)20-11-6-8-4-2-3-5-9(8)15-11/h2-7,15H,14H2,1H3,(H,16,17,18)
InChIKeyJRSNZMSCVMUKLS-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.12
Rot. Bonds4

About [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80927316) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80927316
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C13H13N5S2/c1-19-13-16-10(18-14)7-12(17-13)20-11-6-8-4-2-3-5-9(8)15-11/h2-7,15H,14H2,1H3,(H,16,17,18)
InChIKeyJRSNZMSCVMUKLS-UHFFFAOYSA-N
XLogP3.12
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830
[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80929840
2-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80924203
[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 80929796
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775261
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891402
[2-methylsulfanyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
CID 80920019
2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile
CID 83077192
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785469
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602

Frequently Asked Questions

What is the IUPAC name of [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80927316) is [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(Sc2cc3ccccc3[nH]2)n1.
What is the InChIKey of [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is JRSNZMSCVMUKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-19-13-16-10(18-14)7-12(17-13)20-11-6-8-4-2-3-5-9(8)15-11/h2-7,15H,14H2,1H3,(H,16,17,18).
What are the key properties of [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 303.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80927316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).