4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol

C16H25N5O2 — CID 163352629

IUPAC4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol
SMILESOC1COCC1N1CCN(c2nccc(N3CCCC3)n2)CC1
InChIInChI=1S/C16H25N5O2/c22-14-12-23-11-13(14)19-7-9-21(10-8-19)16-17-4-3-15(18-16)20-5-1-2-6-20/h3-4,13-14,22H,1-2,5-12H2
InChIKeyKPOMEDBCBMKWFF-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.04
Rot. Bonds3

About 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol

4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol (PubChem CID 163352629) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol
PubChem CID163352629
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol
SMILESOC1COCC1N1CCN(c2nccc(N3CCCC3)n2)CC1
InChIInChI=1S/C16H25N5O2/c22-14-12-23-11-13(14)19-7-9-21(10-8-19)16-17-4-3-15(18-16)20-5-1-2-6-20/h3-4,13-14,22H,1-2,5-12H2
InChIKeyKPOMEDBCBMKWFF-UHFFFAOYSA-N
XLogP-0.04
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4S)-4-[4-(4-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]oxolan-3-ol
CID 74236984
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide
CID 146132676
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol?
The IUPAC name of 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol (CID 163352629) is 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol is OC1COCC1N1CCN(c2nccc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol?
The InChIKey is KPOMEDBCBMKWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-14-12-23-11-13(14)19-7-9-21(10-8-19)16-17-4-3-15(18-16)20-5-1-2-6-20/h3-4,13-14,22H,1-2,5-12H2.
What are the key properties of 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol?
4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol has a molecular weight of 319.41 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]oxolan-3-ol is sourced from PubChem (CID 163352629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).