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

C9H12BrN3S — CID 106480281

IUPAC5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione
SMILESCN(C)c1nc(=S)c(Br)c(C2CC2)[nH]1
InChIInChI=1S/C9H12BrN3S/c1-13(2)9-11-7(5-3-4-5)6(10)8(14)12-9/h5H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyULPFYPPDOOGRIU-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.85
Rot. Bonds2

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

5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione (PubChem CID 106480281) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione
PubChem CID106480281
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione
SMILESCN(C)c1nc(=S)c(Br)c(C2CC2)[nH]1
InChIInChI=1S/C9H12BrN3S/c1-13(2)9-11-7(5-3-4-5)6(10)8(14)12-9/h5H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyULPFYPPDOOGRIU-UHFFFAOYSA-N
XLogP2.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.85
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-(dimethylamino)-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-(dimethylamino)-1H-pyrimidine-4-thione
CID 106478361
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-2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106479761
5-bromo-2-(diethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106479887
5-bromo-6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106479998
5-bromo-2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480025
5-bromo-2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480144
5-bromo-6-cyclopropyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106480253
2-(azepan-1-yl)-5-bromo-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106480280
5-bromo-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106480364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione (CID 106480281) is 5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione is CN(C)c1nc(=S)c(Br)c(C2CC2)[nH]1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The InChIKey is ULPFYPPDOOGRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c1-13(2)9-11-7(5-3-4-5)6(10)8(14)12-9/h5H,3-4H2,1-2H3,(H,11,12,14).
What are the key properties of 5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
5-bromo-6-cyclopropyl-2-(dimethylamino)-1H-pyrimidine-4-thione has a molecular weight of 274.19 g/mol, XLogP of 2.85, 2 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-(dimethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).