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

C14H21N5O — CID 1439360

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCCC1
InChIInChI=1S/C14H21N5O/c20-13(18-6-1-2-7-18)12-17-8-10-19(11-9-17)14-15-4-3-5-16-14/h3-5H,1-2,6-12H2
InChIKeyRMJDSHGIULLUHK-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.22
Rot. Bonds3

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

2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 1439360) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID1439360
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCCC1
InChIInChI=1S/C14H21N5O/c20-13(18-6-1-2-7-18)12-17-8-10-19(11-9-17)14-15-4-3-5-16-14/h3-5H,1-2,6-12H2
InChIKeyRMJDSHGIULLUHK-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone (CID 1439360) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(c2ncccn2)CC1)N1CCCC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is RMJDSHGIULLUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c20-13(18-6-1-2-7-18)12-17-8-10-19(11-9-17)14-15-4-3-5-16-14/h3-5H,1-2,6-12H2.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 275.36 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1439360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).