5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione

C15H15BrN2S — CID 106480974

IUPAC5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione
SMILESS=c1[nH]c(C2(c3ccccc3)CCCC2)ncc1Br
InChIInChI=1S/C15H15BrN2S/c16-12-10-17-14(18-13(12)19)15(8-4-5-9-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,19)
InChIKeyGWZLOJZUFRSGDM-UHFFFAOYSA-N
MW335.27 g/mol
LogP4.76
Rot. Bonds2

About 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione

5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione (PubChem CID 106480974) has the molecular formula C15H15BrN2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione
PubChem CID106480974
Molecular FormulaC15H15BrN2S
Molecular Weight335.27 g/mol
Exact Mass334.01
IUPAC Name5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione
SMILESS=c1[nH]c(C2(c3ccccc3)CCCC2)ncc1Br
InChIInChI=1S/C15H15BrN2S/c16-12-10-17-14(18-13(12)19)15(8-4-5-9-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,19)
InChIKeyGWZLOJZUFRSGDM-UHFFFAOYSA-N
XLogP4.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
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-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66316774
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
CID 63108633
5-(bromomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 114205547
N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109245
1,1-diphenylcyclotetradecane
CID 175822005
2-(1-phenylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475499
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid
CID 100591958
5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole
CID 55177669
4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66284571
2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 63080980

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione?
The IUPAC name of 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione (CID 106480974) is 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione is S=c1[nH]c(C2(c3ccccc3)CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione?
The InChIKey is GWZLOJZUFRSGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2S/c16-12-10-17-14(18-13(12)19)15(8-4-5-9-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,19).
What are the key properties of 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione?
5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione has a molecular weight of 335.27 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106480974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).