6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione

C23H31N5O3 — CID 67689690

IUPAC6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)N(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H31N5O3/c1-18(2)27(12-5-6-20-16-22(29)26(4)23(30)25(20)3)14-15-31-21-9-7-19(8-10-21)28-13-11-24-17-28/h7-11,13,16-18H,5-6,12,14-15H2,1-4H3
InChIKeyDAXSEUQKXOLHQP-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.99
Rot. Bonds10

About 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione

6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 67689690) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID67689690
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)N(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H31N5O3/c1-18(2)27(12-5-6-20-16-22(29)26(4)23(30)25(20)3)14-15-31-21-9-7-19(8-10-21)28-13-11-24-17-28/h7-11,13,16-18H,5-6,12,14-15H2,1-4H3
InChIKeyDAXSEUQKXOLHQP-UHFFFAOYSA-N
XLogP1.99
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
CID 21193484
1-(4-hex-5-enoxyphenyl)imidazole
CID 86214589
[5-[3-(4-imidazol-1-ylphenoxy)propyl]-1H-imidazol-2-yl] 2,2,2-trifluoroacetate
CID 70248086
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
CID 57242122
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
(4-imidazol-1-ylphenyl) (2S)-2-methoxypropane-1-sulfonate
CID 99837565
1-[3-(3-methylsulfonylpropoxy)phenyl]imidazole
CID 71984751

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione (CID 67689690) is 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione is CC(C)N(CCCc1cc(=O)n(C)c(=O)n1C)CCOc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is DAXSEUQKXOLHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-18(2)27(12-5-6-20-16-22(29)26(4)23(30)25(20)3)14-15-31-21-9-7-19(8-10-21)28-13-11-24-17-28/h7-11,13,16-18H,5-6,12,14-15H2,1-4H3.
What are the key properties of 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 425.53 g/mol, XLogP of 1.99, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(4-imidazol-1-ylphenoxy)ethyl-propan-2-ylamino]propyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67689690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).