6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione

C21H32N4O2 — CID 67689734

IUPAC6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCN(CCCc1ccc(N)cc1)CCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C21H32N4O2/c1-4-13-25(14-5-7-17-9-11-18(22)12-10-17)15-6-8-19-16-20(26)24(3)21(27)23(19)2/h9-12,16H,4-8,13-15,22H2,1-3H3
InChIKeyWGLJKPXMWOLUNX-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.94
Rot. Bonds10

About 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione

6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 67689734) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID67689734
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCN(CCCc1ccc(N)cc1)CCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C21H32N4O2/c1-4-13-25(14-5-7-17-9-11-18(22)12-10-17)15-6-8-19-16-20(26)24(3)21(27)23(19)2/h9-12,16H,4-8,13-15,22H2,1-3H3
InChIKeyWGLJKPXMWOLUNX-UHFFFAOYSA-N
XLogP1.94
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
CID 67689767
1,3-dimethyl-6-[3-[2-(2-nitrophenyl)ethyl-propylamino]propyl]pyrimidine-2,4-dione
CID 67689689
6-[3-[2-methoxyethyl-[2-(4-nitrophenyl)ethyl]amino]propyl]-1,3-dimethylpyrimidine-2,4-dione
CID 67689754
4-[3-(diethylamino)propyl]aniline
CID 10608385
6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 67689740
5-amino-1-[3-(dipropylamino)propyl]pyridin-2-one
CID 43259542
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-[2-(dipropylamino)ethyl]benzene-1,2-diamine
CID 10014310
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 106615787
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione (CID 67689734) is 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione is CCCN(CCCc1ccc(N)cc1)CCCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WGLJKPXMWOLUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-13-25(14-5-7-17-9-11-18(22)12-10-17)15-6-8-19-16-20(26)24(3)21(27)23(19)2/h9-12,16H,4-8,13-15,22H2,1-3H3.
What are the key properties of 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 372.51 g/mol, XLogP of 1.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(4-aminophenyl)propyl-propylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67689734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).