5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C13H18BrN5O2 — CID 136977673

IUPAC5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=C(C1CCCN1c1nc[nH]c(=O)c1Br)N1CCNCC1
InChIInChI=1S/C13H18BrN5O2/c14-10-11(16-8-17-12(10)20)19-5-1-2-9(19)13(21)18-6-3-15-4-7-18/h8-9,15H,1-7H2,(H,16,17,20)
InChIKeyZGALEQNCGCMNCT-UHFFFAOYSA-N
MW356.22 g/mol
LogP-0.07
Rot. Bonds2

About 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136977673) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136977673
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC Name5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=C(C1CCCN1c1nc[nH]c(=O)c1Br)N1CCNCC1
InChIInChI=1S/C13H18BrN5O2/c14-10-11(16-8-17-12(10)20)19-5-1-2-9(19)13(21)18-6-3-15-4-7-18/h8-9,15H,1-7H2,(H,16,17,20)
InChIKeyZGALEQNCGCMNCT-UHFFFAOYSA-N
XLogP-0.07
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864278
2-[4-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956223
5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956539
5-bromo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956639
5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956746
5-bromo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956821
5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957094
5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957097
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957435
5-bromo-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957820
2-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 136958053
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 136970800

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136977673) is 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is O=C(C1CCCN1c1nc[nH]c(=O)c1Br)N1CCNCC1.
What is the InChIKey of 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZGALEQNCGCMNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c14-10-11(16-8-17-12(10)20)19-5-1-2-9(19)13(21)18-6-3-15-4-7-18/h8-9,15H,1-7H2,(H,16,17,20).
What are the key properties of 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 356.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).