3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

C21H21FN4O2 — CID 142238628

IUPAC3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCCn1c(N2CCOC(c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H21FN4O2/c1-2-26-20(27)13-18(15-7-9-23-10-8-15)24-21(26)25-11-12-28-19(14-25)16-3-5-17(22)6-4-16/h3-10,13,19H,2,11-12,14H2,1H3
InChIKeyBSGIRUUFMFIODO-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.04
Rot. Bonds4

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

3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 142238628) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID142238628
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCCn1c(N2CCOC(c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H21FN4O2/c1-2-26-20(27)13-18(15-7-9-23-10-8-15)24-21(26)25-11-12-28-19(14-25)16-3-5-17(22)6-4-16/h3-10,13,19H,2,11-12,14H2,1H3
InChIKeyBSGIRUUFMFIODO-UHFFFAOYSA-N
XLogP3.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-6-(3-fluoro-4-pyridinyl)-2-[(2S)-2-[4-(trifluoromethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 162557609
2-[2-[4-(3-hydroxyazetidin-1-yl)phenyl]morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11640345
3-methyl-6-pyridin-4-yl-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 10224712
2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794037
2-[(2R)-2-(4-fluorophenyl)-1,4-oxazepan-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 67282213
2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10156508
3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 59794151
N-(4-fluorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59794158
N-[4-imino-4-[4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]butan-2-yl]-N-methylacetamide
CID 174526253
1-[4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]-3-pyridin-3-ylthiourea
CID 76594500
3-methyl-6-pyridin-4-yl-2-[2-[2-(2,2,2-trifluoroethoxy)phenyl]morpholin-4-yl]pyrimidin-4-one;hydrochloride
CID 162307517
3-methyl-2-[2-[2-(nitrosomethyl)phenyl]morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238593

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (CID 142238628) is 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is CCn1c(N2CCOC(c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is BSGIRUUFMFIODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-2-26-20(27)13-18(15-7-9-23-10-8-15)24-21(26)25-11-12-28-19(14-25)16-3-5-17(22)6-4-16/h3-10,13,19H,2,11-12,14H2,1H3.
What are the key properties of 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 380.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 142238628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).