6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione

C17H24N4O3 — CID 67689740

IUPAC6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCOc1ccc(N)cc1)CCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H24N4O3/c1-19(10-11-24-15-6-4-13(18)5-7-15)9-8-14-12-16(22)21(3)17(23)20(14)2/h4-7,12H,8-11,18H2,1-3H3
InChIKeyWKGMNYQVNVEXOB-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.22
Rot. Bonds7

About 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione

6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 67689740) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID67689740
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCOc1ccc(N)cc1)CCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H24N4O3/c1-19(10-11-24-15-6-4-13(18)5-7-15)9-8-14-12-16(22)21(3)17(23)20(14)2/h4-7,12H,8-11,18H2,1-3H3
InChIKeyWKGMNYQVNVEXOB-UHFFFAOYSA-N
XLogP0.22
TPSA82.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
6-[3-[2-(4-aminophenyl)ethyl-ethylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
CID 67689767
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
N-[4-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]phenyl]methanesulfinamide
CID 142074181
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
CID 67689690
6-[[4-(cyclopropylmethoxy)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 154775439
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(4-chlorophenoxy)acetate
CID 46675333
2-[3-(4-aminophenoxy)propyl]-5-(dimethylamino)pyridazin-3-one
CID 114393508

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 67689740) is 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione is CN(CCOc1ccc(N)cc1)CCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WKGMNYQVNVEXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19(10-11-24-15-6-4-13(18)5-7-15)9-8-14-12-16(22)21(3)17(23)20(14)2/h4-7,12H,8-11,18H2,1-3H3.
What are the key properties of 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67689740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).