1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

C17H17N3O4 — CID 125018775

IUPAC1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1nccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1
InChIInChI=1S/C17H17N3O4/c1-11-18-5-4-13(19-11)16-9-20(6-7-22-16)17(21)12-2-3-14-15(8-12)24-10-23-14/h2-5,8,16H,6-7,9-10H2,1H3/t16-/m1/s1
InChIKeyXRHKQKZLFURPAH-MRXNPFEDSA-N
MW327.34 g/mol
LogP1.73
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone

1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 125018775) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID125018775
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1nccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1
InChIInChI=1S/C17H17N3O4/c1-11-18-5-4-13(19-11)16-9-20(6-7-22-16)17(21)12-2-3-14-15(8-12)24-10-23-14/h2-5,8,16H,6-7,9-10H2,1H3/t16-/m1/s1
InChIKeyXRHKQKZLFURPAH-MRXNPFEDSA-N
XLogP1.73
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 125012365
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022866
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022865
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866
1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 110113060
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125009284
1,3-benzodioxol-5-yl-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 110103815
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 125018775) is 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is Cc1nccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)n1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is XRHKQKZLFURPAH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11-18-5-4-13(19-11)16-9-20(6-7-22-16)17(21)12-2-3-14-15(8-12)24-10-23-14/h2-5,8,16H,6-7,9-10H2,1H3/t16-/m1/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone?
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 327.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 125018775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).