5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione

C13H19BrN2S — CID 106479935

IUPAC5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2CCC(CC)C2)nc(=S)c1Br
InChIInChI=1S/C13H19BrN2S/c1-3-8-5-6-9(7-8)12-15-10(4-2)11(14)13(17)16-12/h8-9H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyRTYSPTSPQKLDBV-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.76
Rot. Bonds3

About 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione

5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione (PubChem CID 106479935) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
PubChem CID106479935
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC Name5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2CCC(CC)C2)nc(=S)c1Br
InChIInChI=1S/C13H19BrN2S/c1-3-8-5-6-9(7-8)12-15-10(4-2)11(14)13(17)16-12/h8-9H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyRTYSPTSPQKLDBV-UHFFFAOYSA-N
XLogP4.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-cyclopentyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106482093
5-bromo-6-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113839877
5-bromo-2-(3,3-difluorocyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 114217019
5-bromo-2-(3,3-difluorocyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 114217020
2-(3-methylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475415
2-(3-ethylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475492
6-tert-butyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106475920
6-tert-butyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
CID 106475998
6-ethyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106476169
6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione
CID 106476242
2-(3-ethylcyclopentyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476765
2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476822

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione (CID 106479935) is 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione is CCc1[nH]c(C2CCC(CC)C2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione?
The InChIKey is RTYSPTSPQKLDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S/c1-3-8-5-6-9(7-8)12-15-10(4-2)11(14)13(17)16-12/h8-9H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione?
5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione has a molecular weight of 315.28 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(3-ethylcyclopentyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).