[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C13H21N5S — CID 80930524

IUPAC[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2CCCC3CCCC32)n1
InChIInChI=1S/C13H21N5S/c1-19-13-15-11(17-14)8-12(16-13)18-7-3-5-9-4-2-6-10(9)18/h8-10H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyMQLZPTPGBGPHPA-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.25
Rot. Bonds3

About [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80930524) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80930524
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(N2CCCC3CCCC32)n1
InChIInChI=1S/C13H21N5S/c1-19-13-15-11(17-14)8-12(16-13)18-7-3-5-9-4-2-6-10(9)18/h8-10H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyMQLZPTPGBGPHPA-UHFFFAOYSA-N
XLogP2.25
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
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

6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80819682
[6-(2-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80898992
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968593
[2-methylsulfanyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056809
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]hydrazine
CID 80931290
6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80819254
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504
[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80924868
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80909047
[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80908426

Frequently Asked Questions

What is the IUPAC name of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80930524) is [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(N2CCCC3CCCC32)n1.
What is the InChIKey of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is MQLZPTPGBGPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-19-13-15-11(17-14)8-12(16-13)18-7-3-5-9-4-2-6-10(9)18/h8-10H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 279.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80930524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).