(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine

C19H23N3O3 — CID 124989717

IUPAC(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine
SMILESc1cc(CC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1
InChIInChI=1S/C19H23N3O3/c1-4-18-19(25-10-9-24-18)11-15(1)12-22-7-8-23-17(13-22)3-2-16-5-6-20-14-21-16/h1,4-6,11,14,17H,2-3,7-10,12-13H2/t17-/m0/s1
InChIKeyOWOGHJAHEJKYPC-KRWDZBQOSA-N
MW341.41 g/mol
LogP2.08
Rot. Bonds5

About (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine

(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine (PubChem CID 124989717) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine
PubChem CID124989717
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine
SMILESc1cc(CC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1
InChIInChI=1S/C19H23N3O3/c1-4-18-19(25-10-9-24-18)11-15(1)12-22-7-8-23-17(13-22)3-2-16-5-6-20-14-21-16/h1,4-6,11,14,17H,2-3,7-10,12-13H2/t17-/m0/s1
InChIKeyOWOGHJAHEJKYPC-KRWDZBQOSA-N
XLogP2.08
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 124941078
(2R)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 124941077
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
CID 66433927
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74232188
pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 124940249
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116424
2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125024352
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 124947302
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124997143

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine?
The IUPAC name of (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine (CID 124989717) is (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine.
What is the SMILES notation for (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine?
The canonical SMILES for (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine is c1cc(CC[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)ncn1.
What is the InChIKey of (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine?
The InChIKey is OWOGHJAHEJKYPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-18-19(25-10-9-24-18)11-15(1)12-22-7-8-23-17(13-22)3-2-16-5-6-20-14-21-16/h1,4-6,11,14,17H,2-3,7-10,12-13H2/t17-/m0/s1.
What are the key properties of (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine?
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine has a molecular weight of 341.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine is sourced from PubChem (CID 124989717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).