4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione

C11H17N3S — CID 83871266

IUPAC4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
SMILESCCc1nc(=S)[nH]c2c1C(CNC)CC2
InChIInChI=1S/C11H17N3S/c1-3-8-10-7(6-12-2)4-5-9(10)14-11(15)13-8/h7,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyIEWYZEWOUBZIML-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.95
Rot. Bonds3

About 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione

4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione (PubChem CID 83871266) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
PubChem CID83871266
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
SMILESCCc1nc(=S)[nH]c2c1C(CNC)CC2
InChIInChI=1S/C11H17N3S/c1-3-8-10-7(6-12-2)4-5-9(10)14-11(15)13-8/h7,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyIEWYZEWOUBZIML-UHFFFAOYSA-N
XLogP1.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione?
The IUPAC name of 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione (CID 83871266) is 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione.
What is the SMILES notation for 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione?
The canonical SMILES for 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione is CCc1nc(=S)[nH]c2c1C(CNC)CC2.
What is the InChIKey of 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione?
The InChIKey is IEWYZEWOUBZIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-8-10-7(6-12-2)4-5-9(10)14-11(15)13-8/h7,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione?
4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione has a molecular weight of 223.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(methylaminomethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione is sourced from PubChem (CID 83871266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).