5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C9H11BrN4O2 — CID 136864278

IUPAC5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc[nH]c(=O)c2Br)C1=O
InChIInChI=1S/C9H11BrN4O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,15)
InChIKeyBEZVCVFJSOLTQF-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.17
Rot. Bonds2

About 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136864278) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136864278
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc[nH]c(=O)c2Br)C1=O
InChIInChI=1S/C9H11BrN4O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,15)
InChIKeyBEZVCVFJSOLTQF-UHFFFAOYSA-N
XLogP0.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114583367
4-(3-amino-4-methylpyrrolidin-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 136677206
5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679993
5-bromo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680000
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713576
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780969
5-bromo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780976
5-bromo-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781010
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784843
5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864275
5-amino-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864277

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136864278) is 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CN1CCC(Nc2nc[nH]c(=O)c2Br)C1=O.
What is the InChIKey of 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is BEZVCVFJSOLTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 287.12 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).