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

C17H19BrF2N4O3 — CID 69353223

IUPAC(2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide
SMILESCC(C)n1c([C@@](C)(N)C(N)=O)nc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C17H19BrF2N4O3/c1-8(2)24-14(25)12(18)13(23-16(24)17(3,22)15(21)26)27-7-9-4-5-10(19)6-11(9)20/h4-6,8H,7,22H2,1-3H3,(H2,21,26)/t17-/m0/s1
InChIKeyMXAQROCGFWHVQG-KRWDZBQOSA-N
MW445.26 g/mol
LogP2.10
Rot. Bonds6

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

(2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide (PubChem CID 69353223) has the molecular formula C17H19BrF2N4O3 and a molecular weight of 445.26 g/mol. Its IUPAC name is (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide
PubChem CID69353223
Molecular FormulaC17H19BrF2N4O3
Molecular Weight445.26 g/mol
Exact Mass444.06
IUPAC Name(2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide
SMILESCC(C)n1c([C@@](C)(N)C(N)=O)nc(OCc2ccc(F)cc2F)c(Br)c1=O
InChIInChI=1S/C17H19BrF2N4O3/c1-8(2)24-14(25)12(18)13(23-16(24)17(3,22)15(21)26)27-7-9-4-5-10(19)6-11(9)20/h4-6,8H,7,22H2,1-3H3,(H2,21,26)/t17-/m0/s1
InChIKeyMXAQROCGFWHVQG-KRWDZBQOSA-N
XLogP2.10
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethoxy)-5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 69364547
ethyl 4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]butanoate
CID 69352238
5-bromo-2-but-3-enyl-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 69352822
N-[2-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]methanesulfonamide
CID 11547767
2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]acetamide
CID 143212794
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-morpholin-4-yl-3-propan-2-ylpyrimidin-4-one
CID 69367641
tert-butyl 4-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 69352894
5-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-4-methylpyrimidine-2-carboxamide
CID 21089627
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-propan-2-ylpyrimidin-4-one
CID 73041882
2-amino-N-[1-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide
CID 87799695
5-bromo-3-(3,5-dibromo-2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089575
3-[3,5-bis(2-hydroxypropan-2-yl)phenyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide?
The IUPAC name of (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide (CID 69353223) is (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide?
The canonical SMILES for (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide is CC(C)n1c([C@@](C)(N)C(N)=O)nc(OCc2ccc(F)cc2F)c(Br)c1=O.
What is the InChIKey of (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide?
The InChIKey is MXAQROCGFWHVQG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19BrF2N4O3/c1-8(2)24-14(25)12(18)13(23-16(24)17(3,22)15(21)26)27-7-9-4-5-10(19)6-11(9)20/h4-6,8H,7,22H2,1-3H3,(H2,21,26)/t17-/m0/s1.
What are the key properties of (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide?
(2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide has a molecular weight of 445.26 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]propanamide is sourced from PubChem (CID 69353223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).