6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C22H32N4O5 — CID 16620465

IUPAC6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(CC)Cc2ccc(OCC)c(OC)c2)c(=O)n(C)c1=O
InChIInChI=1S/C22H32N4O5/c1-6-11-26-20(23)19(21(28)24(4)22(26)29)16(27)14-25(7-2)13-15-9-10-17(31-8-3)18(12-15)30-5/h9-10,12H,6-8,11,13-14,23H2,1-5H3
InChIKeyXCJSOJIAOZZJHZ-UHFFFAOYSA-N
MW432.52 g/mol
LogP1.65
Rot. Bonds11

About 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 16620465) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID16620465
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC Name6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(CC)Cc2ccc(OCC)c(OC)c2)c(=O)n(C)c1=O
InChIInChI=1S/C22H32N4O5/c1-6-11-26-20(23)19(21(28)24(4)22(26)29)16(27)14-25(7-2)13-15-9-10-17(31-8-3)18(12-15)30-5/h9-10,12H,6-8,11,13-14,23H2,1-5H3
InChIKeyXCJSOJIAOZZJHZ-UHFFFAOYSA-N
XLogP1.65
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione with MolForge

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Related Compounds

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8011633
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 16620491
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9433261
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 16542575
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626885
1-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16618560
ethyl 4-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]benzoate
CID 16608706
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 16620430
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 3302099
6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9102366
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18229693

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 16620465) is 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN(CC)Cc2ccc(OCC)c(OC)c2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is XCJSOJIAOZZJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-6-11-26-20(23)19(21(28)24(4)22(26)29)16(27)14-25(7-2)13-15-9-10-17(31-8-3)18(12-15)30-5/h9-10,12H,6-8,11,13-14,23H2,1-5H3.
What are the key properties of 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 432.52 g/mol, XLogP of 1.65, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 16620465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).