3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one

C11H17N3O3 — CID 130179951

IUPAC3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one
SMILESC[C@H]1COCCN1C(=O)CN1CNC=CC1=O
InChIInChI=1S/C11H17N3O3/c1-9-7-17-5-4-14(9)11(16)6-13-8-12-3-2-10(13)15/h2-3,9,12H,4-8H2,1H3/t9-/m0/s1
InChIKeyXHLXXMSRHOWCPF-VIFPVBQESA-N
MW239.27 g/mol
LogP-0.86
Rot. Bonds2

About 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one

3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one (PubChem CID 130179951) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one
PubChem CID130179951
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one
SMILESC[C@H]1COCCN1C(=O)CN1CNC=CC1=O
InChIInChI=1S/C11H17N3O3/c1-9-7-17-5-4-14(9)11(16)6-13-8-12-3-2-10(13)15/h2-3,9,12H,4-8H2,1H3/t9-/m0/s1
InChIKeyXHLXXMSRHOWCPF-VIFPVBQESA-N
XLogP-0.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diiodo-1-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]pyridin-4-one
CID 47415570
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 94095786
2-(3-aminopyrazol-1-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 94355301
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94095579
4-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111675
1-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-3-ylethanone
CID 106774293
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one?
The IUPAC name of 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one (CID 130179951) is 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one.
What is the SMILES notation for 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one?
The canonical SMILES for 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one is C[C@H]1COCCN1C(=O)CN1CNC=CC1=O.
What is the InChIKey of 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one?
The InChIKey is XHLXXMSRHOWCPF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9-7-17-5-4-14(9)11(16)6-13-8-12-3-2-10(13)15/h2-3,9,12H,4-8H2,1H3/t9-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one?
3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one has a molecular weight of 239.27 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethyl]-1,2-dihydropyrimidin-4-one is sourced from PubChem (CID 130179951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).