6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one

C22H28FN5O3 — CID 91903987

IUPAC6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
SMILESCCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(N2CCOCC2)n1
InChIInChI=1S/C22H28FN5O3/c1-2-17-15-20(29)28(22(24-17)27-11-13-31-14-12-27)16-21(30)26-9-7-25(8-10-26)19-6-4-3-5-18(19)23/h3-6,15H,2,7-14,16H2,1H3
InChIKeyOZZMVLSSZOTVKO-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.13
Rot. Bonds5

About 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one

6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one (PubChem CID 91903987) has the molecular formula C22H28FN5O3 and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
PubChem CID91903987
Molecular FormulaC22H28FN5O3
Molecular Weight429.50 g/mol
Exact Mass429.22
IUPAC Name6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
SMILESCCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(N2CCOCC2)n1
InChIInChI=1S/C22H28FN5O3/c1-2-17-15-20(29)28(22(24-17)27-11-13-31-14-12-27)16-21(30)26-9-7-25(8-10-26)19-6-4-3-5-18(19)23/h3-6,15H,2,7-14,16H2,1H3
InChIKeyOZZMVLSSZOTVKO-UHFFFAOYSA-N
XLogP1.13
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one (CID 91903987) is 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one is CCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one?
The InChIKey is OZZMVLSSZOTVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3/c1-2-17-15-20(29)28(22(24-17)27-11-13-31-14-12-27)16-21(30)26-9-7-25(8-10-26)19-6-4-3-5-18(19)23/h3-6,15H,2,7-14,16H2,1H3.
What are the key properties of 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one?
6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one has a molecular weight of 429.50 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 91903987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).