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

C19H23N3O3 — CID 110115909

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
SMILESCc1cc(C2CN(Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1
InChIInChI=1S/C19H23N3O3/c1-13-9-16(21-14(2)20-13)19-12-22(5-6-23-19)11-15-3-4-17-18(10-15)25-8-7-24-17/h3-4,9-10,19H,5-8,11-12H2,1-2H3
InChIKeyFTIGTXQKRKIRQX-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.44
Rot. Bonds3

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

4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine (PubChem CID 110115909) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
PubChem CID110115909
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
SMILESCc1cc(C2CN(Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1
InChIInChI=1S/C19H23N3O3/c1-13-9-16(21-14(2)20-13)19-12-22(5-6-23-19)11-15-3-4-17-18(10-15)25-8-7-24-17/h3-4,9-10,19H,5-8,11-12H2,1-2H3
InChIKeyFTIGTXQKRKIRQX-UHFFFAOYSA-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

(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 124947302
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 124953952
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 125024565
2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 110115917
2-(2,6-dimethylpyrimidin-4-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110115918
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
CID 110114973
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268
2-(2,6-dimethylpyrimidin-4-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 110115987
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
N,N,2-trimethyl-6-[(2R)-4-[(6-methyl-3-pyridinyl)methyl]morpholin-2-yl]pyridin-4-amine
CID 124990677

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine (CID 110115909) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine is Cc1cc(C2CN(Cc3ccc4c(c3)OCCO4)CCO2)nc(C)n1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine?
The InChIKey is FTIGTXQKRKIRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-9-16(21-14(2)20-13)19-12-22(5-6-23-19)11-15-3-4-17-18(10-15)25-8-7-24-17/h3-4,9-10,19H,5-8,11-12H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-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 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 110115909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).