2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C15H24F3N5O4 — CID 30256315

IUPAC2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CC(=O)NCC(F)(F)F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H24F3N5O4/c1-9(2)6-23-12(19)11(13(25)21-14(23)26)22(4-5-27-3)7-10(24)20-8-15(16,17)18/h9H,4-8,19H2,1-3H3,(H,20,24)(H,21,25,26)
InChIKeyORVWRKIBSVDAOK-UHFFFAOYSA-N
MW395.38 g/mol
LogP-0.09
Rot. Bonds9

About 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 30256315) has the molecular formula C15H24F3N5O4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID30256315
Molecular FormulaC15H24F3N5O4
Molecular Weight395.38 g/mol
Exact Mass395.18
IUPAC Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CC(=O)NCC(F)(F)F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H24F3N5O4/c1-9(2)6-23-12(19)11(13(25)21-14(23)26)22(4-5-27-3)7-10(24)20-8-15(16,17)18/h9H,4-8,19H2,1-3H3,(H,20,24)(H,21,25,26)
InChIKeyORVWRKIBSVDAOK-UHFFFAOYSA-N
XLogP-0.09
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 30256315) is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is COCCN(CC(=O)NCC(F)(F)F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ORVWRKIBSVDAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O4/c1-9(2)6-23-12(19)11(13(25)21-14(23)26)22(4-5-27-3)7-10(24)20-8-15(16,17)18/h9H,4-8,19H2,1-3H3,(H,20,24)(H,21,25,26).
What are the key properties of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 395.38 g/mol, XLogP of -0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 30256315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).