5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione

C11H16BrN3S — CID 106480401

IUPAC5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(Br)c(C2CC2)[nH]1
InChIInChI=1S/C11H16BrN3S/c1-3-15(4-2)11-13-9(7-5-6-7)8(12)10(16)14-11/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyQAZFYFFLYJKBMH-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.63
Rot. Bonds4

About 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione

5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione (PubChem CID 106480401) has the molecular formula C11H16BrN3S and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione
PubChem CID106480401
Molecular FormulaC11H16BrN3S
Molecular Weight302.24 g/mol
Exact Mass301.02
IUPAC Name5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(Br)c(C2CC2)[nH]1
InChIInChI=1S/C11H16BrN3S/c1-3-15(4-2)11-13-9(7-5-6-7)8(12)10(16)14-11/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyQAZFYFFLYJKBMH-UHFFFAOYSA-N
XLogP3.63
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-6-cyclopropyl-2-(diethylamino)-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-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione
CID 106478484
5-bromo-6-propyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106479232
5-bromo-2-(dimethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106479258
5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106479381
5-bromo-6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106479529
5-bromo-6-tert-butyl-2-(diethylamino)-1H-pyrimidine-4-thione
CID 106479640
5-bromo-6-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106479735
5-bromo-2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106479761
5-bromo-6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106479762
5-bromo-2-(diethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106479887
5-bromo-2-(4-methylpiperazin-1-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106479997
5-bromo-6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106479998

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione (CID 106480401) is 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione is CCN(CC)c1nc(=S)c(Br)c(C2CC2)[nH]1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione?
The InChIKey is QAZFYFFLYJKBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3S/c1-3-15(4-2)11-13-9(7-5-6-7)8(12)10(16)14-11/h7H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione?
5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione has a molecular weight of 302.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).