6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C17H21FN4O4 — CID 26427694

IUPAC6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCOc1ccc(F)cc1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H21FN4O4/c1-20(8-9-26-12-6-4-11(18)5-7-12)10-13(23)14-15(19)21(2)17(25)22(3)16(14)24/h4-7H,8-10,19H2,1-3H3
InChIKeyWYQWKNVWTPAUBJ-UHFFFAOYSA-N
MW364.38 g/mol
LogP-0.00
Rot. Bonds7

About 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 26427694) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID26427694
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Name6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CCOc1ccc(F)cc1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H21FN4O4/c1-20(8-9-26-12-6-4-11(18)5-7-12)10-13(23)14-15(19)21(2)17(25)22(3)16(14)24/h4-7H,8-10,19H2,1-3H3
InChIKeyWYQWKNVWTPAUBJ-UHFFFAOYSA-N
XLogP-0.00
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methyl-2-phenoxybutanamide
CID 24983173
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methylpropyl)acetamide
CID 4797014
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(4-fluorophenoxy)acetamide
CID 4798273
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 24983151
N-(2-(4-fluorophenoxy)ethyl)-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 44088683
5-{2-[4-(4-fluorophenoxy)-1-piperidinyl]-2-oxoethyl}-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 70732954
6-Amino-1-ethyl-5-[methyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
CID 8850853
6-Amino-5-[2-(3-fluorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2101010
6-Amino-1-butyl-5-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidine-2,4-dione
CID 17452381
6-Amino-5-[2-[2-(4-bromophenoxy)ethyl-methylamino]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 36129961
1-{2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl}-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56702315
5-{2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl}-3-methylpyrimidine-2,4(1H,3H)-dione
CID 77092998

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 26427694) is 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione is CN(CCOc1ccc(F)cc1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WYQWKNVWTPAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c1-20(8-9-26-12-6-4-11(18)5-7-12)10-13(23)14-15(19)21(2)17(25)22(3)16(14)24/h4-7H,8-10,19H2,1-3H3.
What are the key properties of 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 364.38 g/mol, XLogP of -0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 26427694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).