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

C16H24F3N5O4 — CID 9355314

IUPAC2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C16H24F3N5O4/c1-2-3-4-23-13(20)12(22-5-7-28-8-6-22)14(26)24(15(23)27)9-11(25)21-10-16(17,18)19/h2-10,20H2,1H3,(H,21,25)
InChIKeyOBGBTRHQAMFFRO-UHFFFAOYSA-N
MW407.39 g/mol
LogP-0.09
Rot. Bonds7

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

2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 9355314) has the molecular formula C16H24F3N5O4 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID9355314
Molecular FormulaC16H24F3N5O4
Molecular Weight407.39 g/mol
Exact Mass407.18
IUPAC Name2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C16H24F3N5O4/c1-2-3-4-23-13(20)12(22-5-7-28-8-6-22)14(26)24(15(23)27)9-11(25)21-10-16(17,18)19/h2-10,20H2,1H3,(H,21,25)
InChIKeyOBGBTRHQAMFFRO-UHFFFAOYSA-N
XLogP-0.09
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 9355314) is 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OBGBTRHQAMFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O4/c1-2-3-4-23-13(20)12(22-5-7-28-8-6-22)14(26)24(15(23)27)9-11(25)21-10-16(17,18)19/h2-10,20H2,1H3,(H,21,25).
What are the key properties of 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 407.39 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 9355314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).