5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one

C12H18BrN3O — CID 136964464

IUPAC5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C12H18BrN3O/c1-16(2)7-9-14-11(8-5-3-4-6-8)10(13)12(17)15-9/h8H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyJLNBMRCKAIYNGD-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.25
Rot. Bonds3

About 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one

5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136964464) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136964464
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C12H18BrN3O/c1-16(2)7-9-14-11(8-5-3-4-6-8)10(13)12(17)15-9/h8H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyJLNBMRCKAIYNGD-UHFFFAOYSA-N
XLogP2.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 136729648
5-bromo-4-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842481
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730223
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730034
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
5-bromo-2-(4-bromo-3-methylphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730042
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
5-bromo-4-cyclopropyl-2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
CID 137011850
5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
CID 136997911

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one (CID 136964464) is 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one is CN(C)Cc1nc(C2CCCC2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is JLNBMRCKAIYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-16(2)7-9-14-11(8-5-3-4-6-8)10(13)12(17)15-9/h8H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 300.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136964464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).