2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione

C10H15N3S — CID 130863710

IUPAC2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(CCN2CCCC2)[nH]1
InChIInChI=1S/C10H15N3S/c14-10-3-5-11-9(12-10)4-8-13-6-1-2-7-13/h3,5H,1-2,4,6-8H2,(H,11,12,14)
InChIKeyOTBSQZYLTDLJJJ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione

2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione (PubChem CID 130863710) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione
PubChem CID130863710
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(CCN2CCCC2)[nH]1
InChIInChI=1S/C10H15N3S/c14-10-3-5-11-9(12-10)4-8-13-6-1-2-7-13/h3,5H,1-2,4,6-8H2,(H,11,12,14)
InChIKeyOTBSQZYLTDLJJJ-UHFFFAOYSA-N
XLogP1.78
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-1H-pyrimidine-6-thione
CID 121602238
2-pyrrolidin-1-yl-1H-pyrimidine-6-thione
CID 106476302
2-[2-(diethylamino)ethyl]-1H-pyrimidine-6-thione
CID 106476418
2-[2-(dimethylamino)ethyl]-1H-pyrimidine-6-thione
CID 121604051

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione (CID 130863710) is 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione is S=c1ccnc(CCN2CCCC2)[nH]1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione?
The InChIKey is OTBSQZYLTDLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c14-10-3-5-11-9(12-10)4-8-13-6-1-2-7-13/h3,5H,1-2,4,6-8H2,(H,11,12,14).
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione?
2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione has a molecular weight of 209.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 130863710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).