2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide

C16H17BrF2N4O3 — CID 11568182

IUPAC2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide
SMILESCC(C)n1c(NCC(N)=O)nc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C16H17BrF2N4O3/c1-8(2)23-15(25)13(17)14(22-16(23)21-6-12(20)24)26-7-9-3-4-10(18)5-11(9)19/h3-5,8H,6-7H2,1-2H3,(H2,20,24)(H,21,22)
InChIKeyPBZVJCDLZAIVSJ-UHFFFAOYSA-N
MW431.24 g/mol
LogP2.34
Rot. Bonds7

About 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide

2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide (PubChem CID 11568182) has the molecular formula C16H17BrF2N4O3 and a molecular weight of 431.24 g/mol. Its IUPAC name is 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide
PubChem CID11568182
Molecular FormulaC16H17BrF2N4O3
Molecular Weight431.24 g/mol
Exact Mass430.05
IUPAC Name2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide
SMILESCC(C)n1c(NCC(N)=O)nc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C16H17BrF2N4O3/c1-8(2)23-15(25)13(17)14(22-16(23)21-6-12(20)24)26-7-9-3-4-10(18)5-11(9)19/h3-5,8H,6-7H2,1-2H3,(H2,20,24)(H,21,22)
InChIKeyPBZVJCDLZAIVSJ-UHFFFAOYSA-N
XLogP2.34
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide?
The IUPAC name of 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide (CID 11568182) is 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide?
The canonical SMILES for 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide is CC(C)n1c(NCC(N)=O)nc(OCc2ccc(F)cc2F)c(Br)c1=O.
What is the InChIKey of 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide?
The InChIKey is PBZVJCDLZAIVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF2N4O3/c1-8(2)23-15(25)13(17)14(22-16(23)21-6-12(20)24)26-7-9-3-4-10(18)5-11(9)19/h3-5,8H,6-7H2,1-2H3,(H2,20,24)(H,21,22).
What are the key properties of 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide?
2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide has a molecular weight of 431.24 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 11568182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).