5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one

C15H15BrN2O — CID 66316774

IUPAC5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2(c3ccccc3)CCCC2)ncc1Br
InChIInChI=1S/C15H15BrN2O/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)
InChIKeyGVDFZRCQXSOELK-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.39
Rot. Bonds2

About 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one

5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one (PubChem CID 66316774) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
PubChem CID66316774
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2(c3ccccc3)CCCC2)ncc1Br
InChIInChI=1S/C15H15BrN2O/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)
InChIKeyGVDFZRCQXSOELK-UHFFFAOYSA-N
XLogP3.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione
CID 106480974
5-(bromomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 114205547
2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid
CID 100591958
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66284571
N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
CID 63108633
5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 63611596
N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109245
4-(aminomethyl)-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 135978340
5-bromo-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
CID 106512114
1,1-diphenylcyclotetradecane
CID 175822005
5-bromo-2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 66312577

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one (CID 66316774) is 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one is O=c1[nH]c(C2(c3ccccc3)CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is GVDFZRCQXSOELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/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-pyrimidin-6-one?
5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 319.20 g/mol, XLogP of 3.39, 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-pyrimidin-6-one is sourced from PubChem (CID 66316774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).