(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone

C13H19N5O — CID 108987866

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19N5O/c19-13(17-6-1-2-7-17)18-10-8-16(9-11-18)12-14-4-3-5-15-12/h3-5H,1-2,6-11H2
InChIKeyVBCHQWQLTYLWSU-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.81
Rot. Bonds1

About (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone

(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 108987866) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID108987866
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19N5O/c19-13(17-6-1-2-7-17)18-10-8-16(9-11-18)12-14-4-3-5-15-12/h3-5H,1-2,6-11H2
InChIKeyVBCHQWQLTYLWSU-UHFFFAOYSA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone (CID 108987866) is (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is VBCHQWQLTYLWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c19-13(17-6-1-2-7-17)18-10-8-16(9-11-18)12-14-4-3-5-15-12/h3-5H,1-2,6-11H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 261.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 108987866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).