2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C15H22F3N5O4 — CID 9355245

IUPAC2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C15H22F3N5O4/c1-2-3-22-12(19)11(21-4-6-27-7-5-21)13(25)23(14(22)26)8-10(24)20-9-15(16,17)18/h2-9,19H2,1H3,(H,20,24)
InChIKeyNPSBJEKHQFFGSN-UHFFFAOYSA-N
MW393.37 g/mol
LogP-0.48
Rot. Bonds6

About 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 9355245) has the molecular formula C15H22F3N5O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID9355245
Molecular FormulaC15H22F3N5O4
Molecular Weight393.37 g/mol
Exact Mass393.16
IUPAC Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C15H22F3N5O4/c1-2-3-22-12(19)11(21-4-6-27-7-5-21)13(25)23(14(22)26)8-10(24)20-9-15(16,17)18/h2-9,19H2,1H3,(H,20,24)
InChIKeyNPSBJEKHQFFGSN-UHFFFAOYSA-N
XLogP-0.48
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 9355245) is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NPSBJEKHQFFGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O4/c1-2-3-22-12(19)11(21-4-6-27-7-5-21)13(25)23(14(22)26)8-10(24)20-9-15(16,17)18/h2-9,19H2,1H3,(H,20,24).
What are the key properties of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 393.37 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 9355245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).