6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C20H28N4O3 — CID 9045728

IUPAC6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)cc2C)c(=O)n(C)c1=O
InChIInChI=1S/C20H28N4O3/c1-6-9-24-18(21)17(19(26)23(5)20(24)27)16(25)12-22(4)11-15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12,21H2,1-5H3
InChIKeyJNJAOLMYHFWVAV-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.47
Rot. Bonds7

About 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 9045728) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID9045728
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)cc2C)c(=O)n(C)c1=O
InChIInChI=1S/C20H28N4O3/c1-6-9-24-18(21)17(19(26)23(5)20(24)27)16(25)12-22(4)11-15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12,21H2,1-5H3
InChIKeyJNJAOLMYHFWVAV-UHFFFAOYSA-N
XLogP1.47
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9102366
6-amino-5-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 31374340
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867
6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27206199
ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
CID 115257415
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9433261
6-amino-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16620465
6-amino-1-benzyl-5-[2-[(4-bromothiophen-2-yl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 55841447
6-amino-1,3-dimethyl-5-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 27243240
6-amino-5-[2-[(2-methoxyphenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4851075
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 9045728) is 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN(C)Cc2ccc(C)cc2C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is JNJAOLMYHFWVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-6-9-24-18(21)17(19(26)23(5)20(24)27)16(25)12-22(4)11-15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12,21H2,1-5H3.
What are the key properties of 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 372.47 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9045728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).