N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide

C19H23BrF2N4O4 — CID 11518786

IUPACN-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide
SMILESCC(C)n1c(NCCCNC(=O)CO)nc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C19H23BrF2N4O4/c1-11(2)26-18(29)16(20)17(30-10-12-4-5-13(21)8-14(12)22)25-19(26)24-7-3-6-23-15(28)9-27/h4-5,8,11,27H,3,6-7,9-10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyBKSNXASLMVFGBR-UHFFFAOYSA-N
MW489.32 g/mol
LogP2.35
Rot. Bonds10

About N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide

N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide (PubChem CID 11518786) has the molecular formula C19H23BrF2N4O4 and a molecular weight of 489.32 g/mol. Its IUPAC name is N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide
PubChem CID11518786
Molecular FormulaC19H23BrF2N4O4
Molecular Weight489.32 g/mol
Exact Mass488.09
IUPAC NameN-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide
SMILESCC(C)n1c(NCCCNC(=O)CO)nc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C19H23BrF2N4O4/c1-11(2)26-18(29)16(20)17(30-10-12-4-5-13(21)8-14(12)22)25-19(26)24-7-3-6-23-15(28)9-27/h4-5,8,11,27H,3,6-7,9-10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyBKSNXASLMVFGBR-UHFFFAOYSA-N
XLogP2.35
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.32
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide (CID 11518786) is N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide is CC(C)n1c(NCCCNC(=O)CO)nc(OCc2ccc(F)cc2F)c(Br)c1=O.
What is the InChIKey of N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide?
The InChIKey is BKSNXASLMVFGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrF2N4O4/c1-11(2)26-18(29)16(20)17(30-10-12-4-5-13(21)8-14(12)22)25-19(26)24-7-3-6-23-15(28)9-27/h4-5,8,11,27H,3,6-7,9-10H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide?
N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide has a molecular weight of 489.32 g/mol, XLogP of 2.35, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxyacetamide is sourced from PubChem (CID 11518786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).