2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine

C10H19N3S — CID 169005054

IUPAC2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(SCCN2CCCC2)NC1
InChIInChI=1S/C10H19N3S/c1-2-7-13(6-1)8-9-14-10-11-4-3-5-12-10/h1-9H2,(H,11,12)
InChIKeyZBMNUWAJKYQQJG-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.16
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine

2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 169005054) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID169005054
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(SCCN2CCCC2)NC1
InChIInChI=1S/C10H19N3S/c1-2-7-13(6-1)8-9-14-10-11-4-3-5-12-10/h1-9H2,(H,11,12)
InChIKeyZBMNUWAJKYQQJG-UHFFFAOYSA-N
XLogP1.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine (CID 169005054) is 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine is C1CN=C(SCCN2CCCC2)NC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ZBMNUWAJKYQQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-2-7-13(6-1)8-9-14-10-11-4-3-5-12-10/h1-9H2,(H,11,12).
What are the key properties of 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 213.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 169005054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).