2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide

C17H18N4O4 — CID 122298889

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H18N4O4/c22-16(8-12-1-2-14-15(7-12)25-11-24-14)20-13-9-18-17(19-10-13)21-3-5-23-6-4-21/h1-2,7,9-10H,3-6,8,11H2,(H,20,22)
InChIKeyKABGAXPZTXAENB-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.22
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide (PubChem CID 122298889) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
PubChem CID122298889
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H18N4O4/c22-16(8-12-1-2-14-15(7-12)25-11-24-14)20-13-9-18-17(19-10-13)21-3-5-23-6-4-21/h1-2,7,9-10H,3-6,8,11H2,(H,20,22)
InChIKeyKABGAXPZTXAENB-UHFFFAOYSA-N
XLogP1.22
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300316
2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-3-pyridinyl)acetamide
CID 75405128
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301058
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300676
2-(2-chlorophenyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 53164803
N-(2-morpholin-4-ylpyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122298854
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
3-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 17489922
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide (CID 122298889) is 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide?
The InChIKey is KABGAXPZTXAENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-16(8-12-1-2-14-15(7-12)25-11-24-14)20-13-9-18-17(19-10-13)21-3-5-23-6-4-21/h1-2,7,9-10H,3-6,8,11H2,(H,20,22).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122298889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).