N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C18H20N4O4 — CID 122318833

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1cccc2c1OCCO2
InChIInChI=1S/C18H20N4O4/c23-18(13-2-1-3-14-17(13)26-11-10-25-14)20-12-15-19-5-4-16(21-15)22-6-8-24-9-7-22/h1-5H,6-12H2,(H,20,23)
InChIKeyHMSTZMAFGSESJE-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.01
Rot. Bonds4

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 122318833) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID122318833
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1cccc2c1OCCO2
InChIInChI=1S/C18H20N4O4/c23-18(13-2-1-3-14-17(13)26-11-10-25-14)20-12-15-19-5-4-16(21-15)22-6-8-24-9-7-22/h1-5H,6-12H2,(H,20,23)
InChIKeyHMSTZMAFGSESJE-UHFFFAOYSA-N
XLogP1.01
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
3-methoxy-1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122318787
2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318855
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 21268047
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122318873
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 122318833) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(NCc1nccc(N2CCOCC2)n1)c1cccc2c1OCCO2.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is HMSTZMAFGSESJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-18(13-2-1-3-14-17(13)26-11-10-25-14)20-12-15-19-5-4-16(21-15)22-6-8-24-9-7-22/h1-5H,6-12H2,(H,20,23).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 122318833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).