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

C13H19N5O2 — CID 136977672

IUPAC4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=C(C1CCCN1c1cc(=O)[nH]cn1)N1CCNCC1
InChIInChI=1S/C13H19N5O2/c19-12-8-11(15-9-16-12)18-5-1-2-10(18)13(20)17-6-3-14-4-7-17/h8-10,14H,1-7H2,(H,15,16,19)
InChIKeyJARLDLODKNYMIE-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.83
Rot. Bonds2

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

4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136977672) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136977672
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=C(C1CCCN1c1cc(=O)[nH]cn1)N1CCNCC1
InChIInChI=1S/C13H19N5O2/c19-12-8-11(15-9-16-12)18-5-1-2-10(18)13(20)17-6-3-14-4-7-17/h8-10,14H,1-7H2,(H,15,16,19)
InChIKeyJARLDLODKNYMIE-UHFFFAOYSA-N
XLogP-0.83
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-Oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 134580135
3-Amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione
CID 135991969
Methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 142367643
N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110048000
3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one
CID 114570910
N-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121119275
2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568411
2-[4-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 136663745
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864282
2-[4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956224
5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956537
2-methyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956538

Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136977672) is 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is O=C(C1CCCN1c1cc(=O)[nH]cn1)N1CCNCC1.
What is the InChIKey of 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JARLDLODKNYMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-12-8-11(15-9-16-12)18-5-1-2-10(18)13(20)17-6-3-14-4-7-17/h8-10,14H,1-7H2,(H,15,16,19).
What are the key properties of 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).