2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine

C17H22N6 — CID 165432779

IUPAC2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
SMILESc1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)ccn1
InChIInChI=1S/C17H22N6/c1-2-10-22(9-1)16-5-8-19-17(20-16)23-13-11-21(12-14-23)15-3-6-18-7-4-15/h3-8H,1-2,9-14H2
InChIKeyKZVLIVTYHADBKD-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine

2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine (PubChem CID 165432779) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
PubChem CID165432779
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
SMILESc1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)ccn1
InChIInChI=1S/C17H22N6/c1-2-10-22(9-1)16-5-8-19-17(20-16)23-13-11-21(12-14-23)15-3-6-18-7-4-15/h3-8H,1-2,9-14H2
InChIKeyKZVLIVTYHADBKD-UHFFFAOYSA-N
XLogP1.80
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide
CID 146132676
4-pyrrolidin-1-ylpyridine
CID 158456628
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108
2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 154883204

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine (CID 165432779) is 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine is c1cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)ccn1.
What is the InChIKey of 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is KZVLIVTYHADBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-2-10-22(9-1)16-5-8-19-17(20-16)23-13-11-21(12-14-23)15-3-6-18-7-4-15/h3-8H,1-2,9-14H2.
What are the key properties of 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 310.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 165432779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).