6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione

C25H28N6O3 — CID 24616762

IUPAC6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione
SMILESCCCN(Cc1nc(-c2ccc(CC)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H28N6O3/c1-3-14-30(16-20-27-23(29-34-20)19-12-10-17(4-2)11-13-19)21-22(26)31(25(33)28-24(21)32)15-18-8-6-5-7-9-18/h5-13H,3-4,14-16,26H2,1-2H3,(H,28,32,33)
InChIKeyLRUXIWZMVPPBAY-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.20
Rot. Bonds9

About 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione (PubChem CID 24616762) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione
PubChem CID24616762
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione
SMILESCCCN(Cc1nc(-c2ccc(CC)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H28N6O3/c1-3-14-30(16-20-27-23(29-34-20)19-12-10-17(4-2)11-13-19)21-22(26)31(25(33)28-24(21)32)15-18-8-6-5-7-9-18/h5-13H,3-4,14-16,26H2,1-2H3,(H,28,32,33)
InChIKeyLRUXIWZMVPPBAY-UHFFFAOYSA-N
XLogP3.20
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-benzyl-5-[3-methylbutyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione
CID 18283936
6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione
CID 24649080
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
6-amino-1-benzyl-5-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]pyrimidine-2,4-dione
CID 55499781
6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione
CID 16605848
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methoxy-N-propylbenzamide
CID 8800330
6-amino-1-benzyl-5-[(2-bromophenyl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
CID 46537618
6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646156
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethyl-N-propylbutanamide
CID 9464677
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912306
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-propylacetamide
CID 17390969

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione (CID 24616762) is 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione is CCCN(Cc1nc(-c2ccc(CC)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione?
The InChIKey is LRUXIWZMVPPBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-3-14-30(16-20-27-23(29-34-20)19-12-10-17(4-2)11-13-19)21-22(26)31(25(33)28-24(21)32)15-18-8-6-5-7-9-18/h5-13H,3-4,14-16,26H2,1-2H3,(H,28,32,33).
What are the key properties of 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione has a molecular weight of 460.54 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 24616762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).