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

C11H17N3S — CID 106477456

IUPAC2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCN(C)CCc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C11H17N3S/c1-14(2)7-6-10-12-9-5-3-4-8(9)11(15)13-10/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyMFECHFWZCRVDKP-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.73
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477456) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477456
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCN(C)CCc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C11H17N3S/c1-14(2)7-6-10-12-9-5-3-4-8(9)11(15)13-10/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyMFECHFWZCRVDKP-UHFFFAOYSA-N
XLogP1.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
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 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477456) is 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is CN(C)CCc1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is MFECHFWZCRVDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-14(2)7-6-10-12-9-5-3-4-8(9)11(15)13-10/h3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).