[2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C12H20N4S — CID 65137980

IUPAC[2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)SCc1nc2c(c(NN)n1)CCC2
InChIInChI=1S/C12H20N4S/c1-12(2,3)17-7-10-14-9-6-4-5-8(9)11(15-10)16-13/h4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyNUYXJMNBMRWZFJ-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.28
Rot. Bonds3

About [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 65137980) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID65137980
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name[2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)SCc1nc2c(c(NN)n1)CCC2
InChIInChI=1S/C12H20N4S/c1-12(2,3)17-7-10-14-9-6-4-5-8(9)11(15-10)16-13/h4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyNUYXJMNBMRWZFJ-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 65137980) is [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is CC(C)(C)SCc1nc2c(c(NN)n1)CCC2.
What is the InChIKey of [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is NUYXJMNBMRWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-12(2,3)17-7-10-14-9-6-4-5-8(9)11(15-10)16-13/h4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 252.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65137980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).