N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide

C16H16F3N3O3 — CID 136703698

IUPACN-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide
SMILESCc1nc(CNC(=O)CO[C@H](c2ccccc2)C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C16H16F3N3O3/c1-10-21-12(7-13(23)22-10)8-20-14(24)9-25-15(16(17,18)19)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3,(H,20,24)(H,21,22,23)/t15-/m1/s1
InChIKeyXKSIPOOTZRODBY-OAHLLOKOSA-N
MW355.32 g/mol
LogP2.01
Rot. Bonds6

About N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide

N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide (PubChem CID 136703698) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide
PubChem CID136703698
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide
SMILESCc1nc(CNC(=O)CO[C@H](c2ccccc2)C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C16H16F3N3O3/c1-10-21-12(7-13(23)22-10)8-20-14(24)9-25-15(16(17,18)19)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3,(H,20,24)(H,21,22,23)/t15-/m1/s1
InChIKeyXKSIPOOTZRODBY-OAHLLOKOSA-N
XLogP2.01
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide?
The IUPAC name of N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide (CID 136703698) is N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide.
What is the SMILES notation for N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide?
The canonical SMILES for N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide is Cc1nc(CNC(=O)CO[C@H](c2ccccc2)C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide?
The InChIKey is XKSIPOOTZRODBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-10-21-12(7-13(23)22-10)8-20-14(24)9-25-15(16(17,18)19)11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3,(H,20,24)(H,21,22,23)/t15-/m1/s1.
What are the key properties of N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide?
N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide has a molecular weight of 355.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide is sourced from PubChem (CID 136703698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).