2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C22H27FN6O4S — CID 55504566

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCCn1c(N)c(N(CCOC)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(=O)[nH]c1=O
InChIInChI=1S/C22H27FN6O4S/c1-3-4-9-29-19(24)18(20(31)27-22(29)32)28(10-11-33-2)12-17(30)26-21-25-16(13-34-21)14-5-7-15(23)8-6-14/h5-8,13H,3-4,9-12,24H2,1-2H3,(H,25,26,30)(H,27,31,32)
InChIKeyNCRHHCKEBWFGCU-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.27
Rot. Bonds11

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55504566) has the molecular formula C22H27FN6O4S and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55504566
Molecular FormulaC22H27FN6O4S
Molecular Weight490.56 g/mol
Exact Mass490.18
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCCn1c(N)c(N(CCOC)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(=O)[nH]c1=O
InChIInChI=1S/C22H27FN6O4S/c1-3-4-9-29-19(24)18(20(31)27-22(29)32)28(10-11-33-2)12-17(30)26-21-25-16(13-34-21)14-5-7-15(23)8-6-14/h5-8,13H,3-4,9-12,24H2,1-2H3,(H,25,26,30)(H,27,31,32)
InChIKeyNCRHHCKEBWFGCU-UHFFFAOYSA-N
XLogP2.27
TPSA135.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 46508847
6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 135759706
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(4-phenylphenyl)acetamide
CID 55534656
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3-fluorophenyl)acetamide
CID 18136953
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenoxy)-N-(2-methoxyethyl)acetamide
CID 7505925
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(4-fluorophenyl)propanamide
CID 55852061
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyethyl)urea
CID 45497113
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-chloro-6-fluoro-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 24687196
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
CID 55846895
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55590840
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488790

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 55504566) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is CCCCn1c(N)c(N(CCOC)CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NCRHHCKEBWFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O4S/c1-3-4-9-29-19(24)18(20(31)27-22(29)32)28(10-11-33-2)12-17(30)26-21-25-16(13-34-21)14-5-7-15(23)8-6-14/h5-8,13H,3-4,9-12,24H2,1-2H3,(H,25,26,30)(H,27,31,32).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 490.56 g/mol, XLogP of 2.27, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55504566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).