1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol

C17H27N5O — CID 163350972

IUPAC1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
SMILESOC1(CN2CCN(c3nccc(N4CCCC4)n3)CC2)CCC1
InChIInChI=1S/C17H27N5O/c23-17(5-3-6-17)14-20-10-12-22(13-11-20)16-18-7-4-15(19-16)21-8-1-2-9-21/h4,7,23H,1-3,5-6,8-14H2
InChIKeyCKBFNIOVNOQHOO-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.11
Rot. Bonds4

About 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol

1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol (PubChem CID 163350972) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
PubChem CID163350972
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
SMILESOC1(CN2CCN(c3nccc(N4CCCC4)n3)CC2)CCC1
InChIInChI=1S/C17H27N5O/c23-17(5-3-6-17)14-20-10-12-22(13-11-20)16-18-7-4-15(19-16)21-8-1-2-9-21/h4,7,23H,1-3,5-6,8-14H2
InChIKeyCKBFNIOVNOQHOO-UHFFFAOYSA-N
XLogP1.11
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350924
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 163354464
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 154575792
2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
CID 166601016
2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343767
1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829686
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 163345596
4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol (CID 163350972) is 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol is OC1(CN2CCN(c3nccc(N4CCCC4)n3)CC2)CCC1.
What is the InChIKey of 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol?
The InChIKey is CKBFNIOVNOQHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17(5-3-6-17)14-20-10-12-22(13-11-20)16-18-7-4-15(19-16)21-8-1-2-9-21/h4,7,23H,1-3,5-6,8-14H2.
What are the key properties of 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol?
1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol has a molecular weight of 317.44 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 163350972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).