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

C13H20BrN3S — CID 106482162

IUPAC5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(Br)c(C2CCCC2)[nH]1
InChIInChI=1S/C13H20BrN3S/c1-3-17(4-2)13-15-11(9-7-5-6-8-9)10(14)12(18)16-13/h9H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyGNSPMGUUGNFFEF-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.41
Rot. Bonds4

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

5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione (PubChem CID 106482162) has the molecular formula C13H20BrN3S and a molecular weight of 330.30 g/mol. Its IUPAC name is 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione
PubChem CID106482162
Molecular FormulaC13H20BrN3S
Molecular Weight330.30 g/mol
Exact Mass329.06
IUPAC Name5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)c(Br)c(C2CCCC2)[nH]1
InChIInChI=1S/C13H20BrN3S/c1-3-17(4-2)13-15-11(9-7-5-6-8-9)10(14)12(18)16-13/h9H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyGNSPMGUUGNFFEF-UHFFFAOYSA-N
XLogP4.41
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.41
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

5-bromo-2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106479381
5-bromo-6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106479998
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480024
5-bromo-2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480026
5-bromo-2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480144
5-bromo-6-cyclopropyl-2-(diethylamino)-1H-pyrimidine-4-thione
CID 106480401
2-(azepan-1-yl)-5-bromo-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481061
5-bromo-2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481062
5-bromo-2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481172
6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106481828
5-bromo-6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106482040
2-(azepan-1-yl)-5-bromo-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106482067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione (CID 106482162) is 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione is CCN(CC)c1nc(=S)c(Br)c(C2CCCC2)[nH]1.
What is the InChIKey of 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione?
The InChIKey is GNSPMGUUGNFFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3S/c1-3-17(4-2)13-15-11(9-7-5-6-8-9)10(14)12(18)16-13/h9H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione?
5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione has a molecular weight of 330.30 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopentyl-2-(diethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106482162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).