6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione

C20H26N4O4 — CID 5156725

IUPAC6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione
SMILESCC1CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC(C)O1
InChIInChI=1S/C20H26N4O4/c1-13-9-23(10-14(2)28-13)12-16(25)17-18(21)24(20(27)22(3)19(17)26)11-15-7-5-4-6-8-15/h4-8,13-14H,9-12,21H2,1-3H3
InChIKeyVQNYSBSTVTZCST-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.47
Rot. Bonds5

About 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione (PubChem CID 5156725) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione
PubChem CID5156725
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione
SMILESCC1CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC(C)O1
InChIInChI=1S/C20H26N4O4/c1-13-9-23(10-14(2)28-13)12-16(25)17-18(21)24(20(27)22(3)19(17)26)11-15-7-5-4-6-8-15/h4-8,13-14H,9-12,21H2,1-3H3
InChIKeyVQNYSBSTVTZCST-UHFFFAOYSA-N
XLogP0.47
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 2088446
6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 4316106
6-amino-1-benzyl-5-[2-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067
6-amino-1-benzyl-3-methyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685169
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopropanecarboxylate
CID 5014367
6-amino-1-benzyl-5-[2-[cycloheptyl(methyl)amino]acetyl]-3-methylpyrimidine-2,4-dione
CID 16577799
6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione
CID 2474955
3-[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2689879
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 9248909
6-amino-1-benzyl-5-[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 55838710
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione (CID 5156725) is 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione is CC1CN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC(C)O1.
What is the InChIKey of 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is VQNYSBSTVTZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13-9-23(10-14(2)28-13)12-16(25)17-18(21)24(20(27)22(3)19(17)26)11-15-7-5-4-6-8-15/h4-8,13-14H,9-12,21H2,1-3H3.
What are the key properties of 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 386.45 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5156725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).