N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide

C21H28N4O5 — CID 91903992

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c(N2CCOCC2)n1
InChIInChI=1S/C21H28N4O5/c1-4-16-12-20(27)25(21(23-16)24-7-9-30-10-8-24)14-19(26)22-13-15-5-6-17(28-2)18(11-15)29-3/h5-6,11-12H,4,7-10,13-14H2,1-3H3,(H,22,26)
InChIKeySOODMYQNLJAALI-UHFFFAOYSA-N
MW416.48 g/mol
LogP0.98
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 91903992) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide
PubChem CID91903992
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1cc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c(N2CCOCC2)n1
InChIInChI=1S/C21H28N4O5/c1-4-16-12-20(27)25(21(23-16)24-7-9-30-10-8-24)14-19(26)22-13-15-5-6-17(28-2)18(11-15)29-3/h5-6,11-12H,4,7-10,13-14H2,1-3H3,(H,22,26)
InChIKeySOODMYQNLJAALI-UHFFFAOYSA-N
XLogP0.98
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide (CID 91903992) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide is CCc1cc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c(N2CCOCC2)n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is SOODMYQNLJAALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-4-16-12-20(27)25(21(23-16)24-7-9-30-10-8-24)14-19(26)22-13-15-5-6-17(28-2)18(11-15)29-3/h5-6,11-12H,4,7-10,13-14H2,1-3H3,(H,22,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 416.48 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 91903992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).