5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one

C11H15BrN4O2 — CID 136957594

IUPAC5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(=O)N1CCCC1)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H15BrN4O2/c1-15(6-8(17)16-4-2-3-5-16)10-9(12)11(18)14-7-13-10/h7H,2-6H2,1H3,(H,13,14,18)
InChIKeyZOPQDMRYMBQKRJ-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.59
Rot. Bonds3

About 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957594) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957594
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(=O)N1CCCC1)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H15BrN4O2/c1-15(6-8(17)16-4-2-3-5-16)10-9(12)11(18)14-7-13-10/h7H,2-6H2,1H3,(H,13,14,18)
InChIKeyZOPQDMRYMBQKRJ-UHFFFAOYSA-N
XLogP0.59
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one (CID 136957594) is 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one is CN(CC(=O)N1CCCC1)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZOPQDMRYMBQKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-15(6-8(17)16-4-2-3-5-16)10-9(12)11(18)14-7-13-10/h7H,2-6H2,1H3,(H,13,14,18).
What are the key properties of 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 315.17 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).