4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C20H23N3O3 — CID 136844752

IUPAC4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(c1ccc2c(c1)CCC2)N1CCOC(CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C20H23N3O3/c24-19-11-17(21-13-22-19)6-7-18-12-23(8-9-26-18)20(25)16-5-4-14-2-1-3-15(14)10-16/h4-5,10-11,13,18H,1-3,6-9,12H2,(H,21,22,24)
InChIKeyLQFHXYFYUBRXPI-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.73
Rot. Bonds4

About 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136844752) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136844752
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(c1ccc2c(c1)CCC2)N1CCOC(CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C20H23N3O3/c24-19-11-17(21-13-22-19)6-7-18-12-23(8-9-26-18)20(25)16-5-4-14-2-1-3-15(14)10-16/h4-5,10-11,13,18H,1-3,6-9,12H2,(H,21,22,24)
InChIKeyLQFHXYFYUBRXPI-UHFFFAOYSA-N
XLogP1.73
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140053
4-[2-[(2S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140115
4-[2-[(2S)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137044881
4-[2-[4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844658
4-[2-[(2R)-4-(2-thiophen-2-ylacetyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137168578
4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137030447
4-[2-[(2S)-4-[2-(4-methylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140122
4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037840
4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844736
4-[2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131781
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 124940249
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 136844752) is 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is O=C(c1ccc2c(c1)CCC2)N1CCOC(CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is LQFHXYFYUBRXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19-11-17(21-13-22-19)6-7-18-12-23(8-9-26-18)20(25)16-5-4-14-2-1-3-15(14)10-16/h4-5,10-11,13,18H,1-3,6-9,12H2,(H,21,22,24).
What are the key properties of 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 353.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).