1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione

C17H25N3O4 — CID 95556090

IUPAC1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H](CC2CCCCC2)C1
InChIInChI=1S/C17H25N3O4/c21-15-6-7-20(17(23)18-15)12-16(22)19-8-9-24-14(11-19)10-13-4-2-1-3-5-13/h6-7,13-14H,1-5,8-12H2,(H,18,21,23)/t14-/m0/s1
InChIKeyWKLNQCZYIRAKEJ-AWEZNQCLSA-N
MW335.40 g/mol
LogP0.73
Rot. Bonds4

About 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 95556090) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID95556090
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H](CC2CCCCC2)C1
InChIInChI=1S/C17H25N3O4/c21-15-6-7-20(17(23)18-15)12-16(22)19-8-9-24-14(11-19)10-13-4-2-1-3-5-13/h6-7,13-14H,1-5,8-12H2,(H,18,21,23)/t14-/m0/s1
InChIKeyWKLNQCZYIRAKEJ-AWEZNQCLSA-N
XLogP0.73
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489829
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 95445095
2-[1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612721
1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42293003
1-[2-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95860963
1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 45207278
1-[2-[(3R,4R)-3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 72919872
1-[2-oxo-2-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethyl]pyrimidine-2,4-dione
CID 72853609
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489540
1-[2-[4-(1-hydroxycyclopropyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 138385769
1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 26405708

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 95556090) is 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H](CC2CCCCC2)C1.
What is the InChIKey of 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is WKLNQCZYIRAKEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O4/c21-15-6-7-20(17(23)18-15)12-16(22)19-8-9-24-14(11-19)10-13-4-2-1-3-5-13/h6-7,13-14H,1-5,8-12H2,(H,18,21,23)/t14-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 335.40 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 95556090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).