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

C13H13N5S — CID 80926830

IUPAC[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Sc2cc3ccccc3[nH]2)nc(NN)n1
InChIInChI=1S/C13H13N5S/c1-8-6-11(17-13(15-8)18-14)19-12-7-9-4-2-3-5-10(9)16-12/h2-7,16H,14H2,1H3,(H,15,17,18)
InChIKeyXUASILTVHMSAEA-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.70
Rot. Bonds3

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

[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 80926830) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID80926830
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Sc2cc3ccccc3[nH]2)nc(NN)n1
InChIInChI=1S/C13H13N5S/c1-8-6-11(17-13(15-8)18-14)19-12-7-9-4-2-3-5-10(9)16-12/h2-7,16H,14H2,1H3,(H,15,17,18)
InChIKeyXUASILTVHMSAEA-UHFFFAOYSA-N
XLogP2.70
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80927316
4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891402
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374
2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925407
[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
CID 80929995
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
[4-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923071
6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775261
4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80883757
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine (CID 80926830) is [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(Sc2cc3ccccc3[nH]2)nc(NN)n1.
What is the InChIKey of [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is XUASILTVHMSAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-6-11(17-13(15-8)18-14)19-12-7-9-4-2-3-5-10(9)16-12/h2-7,16H,14H2,1H3,(H,15,17,18).
What are the key properties of [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine?
[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 271.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80926830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).