N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

C19H30F3N5O5 — CID 5133869

IUPACN-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)n(CC(=O)NC(CC)CC)c1=O
InChIInChI=1S/C19H30F3N5O5/c1-5-8-26-15(23)14(25(9-10-32-4)17(30)19(20,21)22)16(29)27(18(26)31)11-13(28)24-12(6-2)7-3/h12H,5-11,23H2,1-4H3,(H,24,28)
InChIKeyRJAIDGBDYBVOFK-UHFFFAOYSA-N
MW465.47 g/mol
LogP0.85
Rot. Bonds11

About N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (PubChem CID 5133869) has the molecular formula C19H30F3N5O5 and a molecular weight of 465.47 g/mol. Its IUPAC name is N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
PubChem CID5133869
Molecular FormulaC19H30F3N5O5
Molecular Weight465.47 g/mol
Exact Mass465.22
IUPAC NameN-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)n(CC(=O)NC(CC)CC)c1=O
InChIInChI=1S/C19H30F3N5O5/c1-5-8-26-15(23)14(25(9-10-32-4)17(30)19(20,21)22)16(29)27(18(26)31)11-13(28)24-12(6-2)7-3/h12H,5-11,23H2,1-4H3,(H,24,28)
InChIKeyRJAIDGBDYBVOFK-UHFFFAOYSA-N
XLogP0.85
TPSA128.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (CID 5133869) is N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-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)n(CC(=O)NC(CC)CC)c1=O.
What is the InChIKey of N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is RJAIDGBDYBVOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3N5O5/c1-5-8-26-15(23)14(25(9-10-32-4)17(30)19(20,21)22)16(29)27(18(26)31)11-13(28)24-12(6-2)7-3/h12H,5-11,23H2,1-4H3,(H,24,28).
What are the key properties of N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 465.47 g/mol, XLogP of 0.85, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2,6-dioxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 5133869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).