5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one

C13H17N5O3 — CID 110696756

IUPAC5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
SMILESO=C1COCC(C(=O)N2CCN(c3ncccn3)CC2)N1
InChIInChI=1S/C13H17N5O3/c19-11-9-21-8-10(16-11)12(20)17-4-6-18(7-5-17)13-14-2-1-3-15-13/h1-3,10H,4-9H2,(H,16,19)
InChIKeyILFXLXQCLSPVFF-UHFFFAOYSA-N
MW291.31 g/mol
LogP-1.36
Rot. Bonds2

About 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one (PubChem CID 110696756) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
PubChem CID110696756
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
SMILESO=C1COCC(C(=O)N2CCN(c3ncccn3)CC2)N1
InChIInChI=1S/C13H17N5O3/c19-11-9-21-8-10(16-11)12(20)17-4-6-18(7-5-17)13-14-2-1-3-15-13/h1-3,10H,4-9H2,(H,16,19)
InChIKeyILFXLXQCLSPVFF-UHFFFAOYSA-N
XLogP-1.36
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiomorpholin-3-one
CID 110695493
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one
CID 110696722
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 56766002
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 72879018
(5-propan-2-ylpyrazolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 52991131
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
CID 84578569

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one?
The IUPAC name of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one (CID 110696756) is 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one.
What is the SMILES notation for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one?
The canonical SMILES for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one is O=C1COCC(C(=O)N2CCN(c3ncccn3)CC2)N1.
What is the InChIKey of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one?
The InChIKey is ILFXLXQCLSPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c19-11-9-21-8-10(16-11)12(20)17-4-6-18(7-5-17)13-14-2-1-3-15-13/h1-3,10H,4-9H2,(H,16,19).
What are the key properties of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one?
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one has a molecular weight of 291.31 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one is sourced from PubChem (CID 110696756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).