4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C19H22FN3O3 — CID 136793125

IUPAC4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(F)ccc1CC(=O)N1CCOC(CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C19H22FN3O3/c1-13-8-15(20)3-2-14(13)9-19(25)23-6-7-26-17(11-23)5-4-16-10-18(24)22-12-21-16/h2-3,8,10,12,17H,4-7,9,11H2,1H3,(H,21,22,24)
InChIKeyHNXMPGAXMVZLCN-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.62
Rot. Bonds5

About 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136793125) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136793125
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(F)ccc1CC(=O)N1CCOC(CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C19H22FN3O3/c1-13-8-15(20)3-2-14(13)9-19(25)23-6-7-26-17(11-23)5-4-16-10-18(24)22-12-21-16/h2-3,8,10,12,17H,4-7,9,11H2,1H3,(H,21,22,24)
InChIKeyHNXMPGAXMVZLCN-UHFFFAOYSA-N
XLogP1.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 136793125) is 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is Cc1cc(F)ccc1CC(=O)N1CCOC(CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is HNXMPGAXMVZLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13-8-15(20)3-2-14(13)9-19(25)23-6-7-26-17(11-23)5-4-16-10-18(24)22-12-21-16/h2-3,8,10,12,17H,4-7,9,11H2,1H3,(H,21,22,24).
What are the key properties of 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 359.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-fluoro-2-methylphenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136793125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).