4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C16H25N5O3 — CID 136761452

IUPAC4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-2-13-11-14(22)18-16(17-13)21-5-3-19(4-6-21)12-15(23)20-7-9-24-10-8-20/h11H,2-10,12H2,1H3,(H,17,18,22)
InChIKeyLDKBQHBHHHQPIL-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.69
Rot. Bonds4

About 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136761452) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136761452
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-2-13-11-14(22)18-16(17-13)21-5-3-19(4-6-21)12-15(23)20-7-9-24-10-8-20/h11H,2-10,12H2,1H3,(H,17,18,22)
InChIKeyLDKBQHBHHHQPIL-UHFFFAOYSA-N
XLogP-0.69
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136761452) is 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(N2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LDKBQHBHHHQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-2-13-11-14(22)18-16(17-13)21-5-3-19(4-6-21)12-15(23)20-7-9-24-10-8-20/h11H,2-10,12H2,1H3,(H,17,18,22).
What are the key properties of 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 335.41 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136761452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).