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

C17H27N5O3 — CID 136761454

IUPAC5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)[nH]c1=O
InChIInChI=1S/C17H27N5O3/c1-3-14-13(2)18-17(19-16(14)24)22-6-4-20(5-7-22)12-15(23)21-8-10-25-11-9-21/h3-12H2,1-2H3,(H,18,19,24)
InChIKeyFGOBSHRSKTXZBL-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.38
Rot. Bonds4

About 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136761454) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136761454
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)[nH]c1=O
InChIInChI=1S/C17H27N5O3/c1-3-14-13(2)18-17(19-16(14)24)22-6-4-20(5-7-22)12-15(23)21-8-10-25-11-9-21/h3-12H2,1-2H3,(H,18,19,24)
InChIKeyFGOBSHRSKTXZBL-UHFFFAOYSA-N
XLogP-0.38
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136761454) is 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(CC(=O)N3CCOCC3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is FGOBSHRSKTXZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-3-14-13(2)18-17(19-16(14)24)22-6-4-20(5-7-22)12-15(23)21-8-10-25-11-9-21/h3-12H2,1-2H3,(H,18,19,24).
What are the key properties of 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 349.44 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136761454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).