(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine

C19H23N3O3 — CID 124947302

IUPAC(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cc(C)nc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1
InChIInChI=1S/C19H23N3O3/c1-13-9-14(2)21-19(20-13)18-12-22(5-6-23-18)11-15-3-4-16-17(10-15)25-8-7-24-16/h3-4,9-10,18H,5-8,11-12H2,1-2H3/t18-/m0/s1
InChIKeyCEUSWKADXAHITL-SFHVURJKSA-N
MW341.41 g/mol
LogP2.44
Rot. Bonds3

About (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine

(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine (PubChem CID 124947302) 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-(4,6-dimethylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
PubChem CID124947302
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cc(C)nc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1
InChIInChI=1S/C19H23N3O3/c1-13-9-14(2)21-19(20-13)18-12-22(5-6-23-18)11-15-3-4-16-17(10-15)25-8-7-24-16/h3-4,9-10,18H,5-8,11-12H2,1-2H3/t18-/m0/s1
InChIKeyCEUSWKADXAHITL-SFHVURJKSA-N
XLogP2.44
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115909
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110115567
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268
(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
CID 124944985
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
CID 66433927
(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125007734
2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-amine
CID 79669506
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
4-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135436
N,N-dimethyl-5-[[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]pyrimidin-2-amine
CID 124964770
4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432188

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The IUPAC name of (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine (CID 124947302) is (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine.
What is the SMILES notation for (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The canonical SMILES for (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine is Cc1cc(C)nc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1.
What is the InChIKey of (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The InChIKey is CEUSWKADXAHITL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-9-14(2)21-19(20-13)18-12-22(5-6-23-18)11-15-3-4-16-17(10-15)25-8-7-24-16/h3-4,9-10,18H,5-8,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine has a molecular weight of 341.41 g/mol, XLogP of 2.44, 3 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-(4,6-dimethylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 124947302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).