1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C18H28N6O2 — CID 154829686

IUPAC1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccnc(N3CCCC3)n2)CC1)N1CCOCC1
InChIInChI=1S/C18H28N6O2/c25-17(23-11-13-26-14-12-23)15-21-7-9-22(10-8-21)16-3-4-19-18(20-16)24-5-1-2-6-24/h3-4H,1-2,5-15H2
InChIKeyYUNAMTQODRBOFI-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.06
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 154829686) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID154829686
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccnc(N3CCCC3)n2)CC1)N1CCOCC1
InChIInChI=1S/C18H28N6O2/c25-17(23-11-13-26-14-12-23)15-21-7-9-22(10-8-21)16-3-4-19-18(20-16)24-5-1-2-6-24/h3-4H,1-2,5-15H2
InChIKeyYUNAMTQODRBOFI-UHFFFAOYSA-N
XLogP0.06
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 154829653
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
2-morpholin-4-yl-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 91833632
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122344533
2-[2-oxo-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 122343794
2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343767
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
3-[2-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122344460
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
(5E)-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87325668
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155800366

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 154829686) is 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccnc(N3CCCC3)n2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is YUNAMTQODRBOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c25-17(23-11-13-26-14-12-23)15-21-7-9-22(10-8-21)16-3-4-19-18(20-16)24-5-1-2-6-24/h3-4H,1-2,5-15H2.
What are the key properties of 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 360.46 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154829686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).