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

C16H17ClF2N4O3 — CID 69352016

IUPAC2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide
SMILESCC(C)n1c(C(N)C(N)=O)nc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C16H17ClF2N4O3/c1-7(2)23-14(12(20)13(21)24)22-15(11(17)16(23)25)26-6-8-3-4-9(18)5-10(8)19/h3-5,7,12H,6,20H2,1-2H3,(H2,21,24)
InChIKeyCSCSNWDISMZCGN-UHFFFAOYSA-N
MW386.79 g/mol
LogP1.82
Rot. Bonds6

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

2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide (PubChem CID 69352016) has the molecular formula C16H17ClF2N4O3 and a molecular weight of 386.79 g/mol. Its IUPAC name is 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide
PubChem CID69352016
Molecular FormulaC16H17ClF2N4O3
Molecular Weight386.79 g/mol
Exact Mass386.10
IUPAC Name2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide
SMILESCC(C)n1c(C(N)C(N)=O)nc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C16H17ClF2N4O3/c1-7(2)23-14(12(20)13(21)24)22-15(11(17)16(23)25)26-6-8-3-4-9(18)5-10(8)19/h3-5,7,12H,6,20H2,1-2H3,(H2,21,24)
InChIKeyCSCSNWDISMZCGN-UHFFFAOYSA-N
XLogP1.82
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide?
The IUPAC name of 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide (CID 69352016) is 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide?
The canonical SMILES for 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide is CC(C)n1c(C(N)C(N)=O)nc(OCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide?
The InChIKey is CSCSNWDISMZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4O3/c1-7(2)23-14(12(20)13(21)24)22-15(11(17)16(23)25)26-6-8-3-4-9(18)5-10(8)19/h3-5,7,12H,6,20H2,1-2H3,(H2,21,24).
What are the key properties of 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide?
2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide has a molecular weight of 386.79 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 69352016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).