5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C10H14BrN3O — CID 136970376

IUPAC5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O/c1-2-7-4-3-5-14(7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyUPHLXUXZZMSIJO-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.91
Rot. Bonds2

About 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136970376) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136970376
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O/c1-2-7-4-3-5-14(7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyUPHLXUXZZMSIJO-UHFFFAOYSA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136989741
5-bromo-4-[2-(propylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136989732
5-bromo-4-[2-[(2-methoxyethylamino)methyl]pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137007917
4-(2-ethylpiperidin-1-yl)-5-nitro-1H-pyrimidin-6-one
CID 135817345
ethyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989684
5-bromo-4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957879
3-bromo-2-(2-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 106876417
5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978978
5-amino-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137007904
methyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989704
5-iodo-4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979010
5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989739

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136970376) is 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CCC1CCCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UPHLXUXZZMSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-7-4-3-5-14(7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).