5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one

C11H16BrN3O — CID 102819881

IUPAC5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
SMILESCc1nc(=O)n(C[C@H]2CCCN2)c(C)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-10(12)8(2)15(11(16)14-7)6-9-4-3-5-13-9/h9,13H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyPEHJLEFRSCOVFC-SECBINFHSA-N
MW286.17 g/mol
LogP1.37
Rot. Bonds2

About 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one

5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one (PubChem CID 102819881) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
PubChem CID102819881
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
SMILESCc1nc(=O)n(C[C@H]2CCCN2)c(C)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-10(12)8(2)15(11(16)14-7)6-9-4-3-5-13-9/h9,13H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyPEHJLEFRSCOVFC-SECBINFHSA-N
XLogP1.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 102819887
3,4-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine-2,5-dione
CID 102819845
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
1-methyl-3-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 62490301
7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466474
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
CID 102819783
5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 126857626
5-bromo-3-nitro-1-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 103098775
1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
CID 105434202
5-bromo-4,6-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-2-one
CID 116617231
4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
CID 62930379

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one?
The IUPAC name of 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one (CID 102819881) is 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one.
What is the SMILES notation for 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one?
The canonical SMILES for 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one is Cc1nc(=O)n(C[C@H]2CCCN2)c(C)c1Br.
What is the InChIKey of 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one?
The InChIKey is PEHJLEFRSCOVFC-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-10(12)8(2)15(11(16)14-7)6-9-4-3-5-13-9/h9,13H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one?
5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one has a molecular weight of 286.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one is sourced from PubChem (CID 102819881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).