N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

C12H17F3N4O4 — CID 4963890

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C12H17F3N4O4/c1-3-4-19-8(16)7(9(20)17-11(19)22)18(5-6-23-2)10(21)12(13,14)15/h3-6,16H2,1-2H3,(H,17,20,22)
InChIKeyZQDZKAQMTBHMIH-UHFFFAOYSA-N
MW338.29 g/mol
LogP0.07
Rot. Bonds6

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (PubChem CID 4963890) has the molecular formula C12H17F3N4O4 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
PubChem CID4963890
Molecular FormulaC12H17F3N4O4
Molecular Weight338.29 g/mol
Exact Mass338.12
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C12H17F3N4O4/c1-3-4-19-8(16)7(9(20)17-11(19)22)18(5-6-23-2)10(21)12(13,14)15/h3-6,16H2,1-2H3,(H,17,20,22)
InChIKeyZQDZKAQMTBHMIH-UHFFFAOYSA-N
XLogP0.07
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (CID 4963890) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is CCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is ZQDZKAQMTBHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O4/c1-3-4-19-8(16)7(9(20)17-11(19)22)18(5-6-23-2)10(21)12(13,14)15/h3-6,16H2,1-2H3,(H,17,20,22).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 338.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 4963890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).