6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

C11H15N3S — CID 106478339

IUPAC6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(N2CCCC2)n1
InChIInChI=1S/C11H15N3S/c15-10-7-9(8-3-4-8)12-11(13-10)14-5-1-2-6-14/h7-8H,1-6H2,(H,12,13,15)
InChIKeyBBHZKUYJDKHMSF-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.62
Rot. Bonds2

About 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106478339) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106478339
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(N2CCCC2)n1
InChIInChI=1S/C11H15N3S/c15-10-7-9(8-3-4-8)12-11(13-10)14-5-1-2-6-14/h7-8H,1-6H2,(H,12,13,15)
InChIKeyBBHZKUYJDKHMSF-UHFFFAOYSA-N
XLogP2.62
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione with MolForge

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

Launch Full Analysis

Related Compounds

6-Tert-butyl-2-pyrrolidin-1-ylpyrimidine-4-thiol
CID 33701674
6-propyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475047
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475303
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476056
6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106478361
6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106478362
6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione
CID 106478484
5-bromo-6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106480253
6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106481269
2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481415

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (CID 106478339) is 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]c(N2CCCC2)n1.
What is the InChIKey of 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is BBHZKUYJDKHMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c15-10-7-9(8-3-4-8)12-11(13-10)14-5-1-2-6-14/h7-8H,1-6H2,(H,12,13,15).
What are the key properties of 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 221.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).