4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one

C13H12Br2N2O2 — CID 136730017

IUPAC4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(-c2cc(Br)c(Br)o2)[nH]1
InChIInChI=1S/C13H12Br2N2O2/c14-8-5-10(19-12(8)15)13-16-9(6-11(18)17-13)7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17,18)
InChIKeyPGAQKEHULLHUJZ-UHFFFAOYSA-N
MW388.06 g/mol
LogP4.21
Rot. Bonds2

About 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 136730017) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
PubChem CID136730017
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(-c2cc(Br)c(Br)o2)[nH]1
InChIInChI=1S/C13H12Br2N2O2/c14-8-5-10(19-12(8)15)13-16-9(6-11(18)17-13)7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17,18)
InChIKeyPGAQKEHULLHUJZ-UHFFFAOYSA-N
XLogP4.21
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-yl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729583
4-cyclopentyl-2-(5-ethylfuran-2-yl)-1H-pyrimidin-6-one
CID 136729982
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136774571
2-(4-bromo-2-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 137010481
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136986877
4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136964441
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
CID 136730004
4-cyclopentyl-2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 136730020
4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136729455

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one (CID 136730017) is 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(-c2cc(Br)c(Br)o2)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is PGAQKEHULLHUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c14-8-5-10(19-12(8)15)13-16-9(6-11(18)17-13)7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17,18).
What are the key properties of 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 388.06 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(4,5-dibromofuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).