2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H10F3N3O3 — CID 113255795

IUPAC2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)6(16)4-14-7(17)5-15-3-1-2-13-8(15)18/h1-3,6,16H,4-5H2,(H,14,17)
InChIKeyNJKHTOISJZUJEL-UHFFFAOYSA-N
MW265.19 g/mol
LogP-0.72
Rot. Bonds4

About 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 113255795) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID113255795
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)6(16)4-14-7(17)5-15-3-1-2-13-8(15)18/h1-3,6,16H,4-5H2,(H,14,17)
InChIKeyNJKHTOISJZUJEL-UHFFFAOYSA-N
XLogP-0.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 40205261
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 103770132
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915533
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113462689
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113964726
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428125
N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428127
N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428130
N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428137
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
N-(2-hydroxypropyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 62334227
N-(2-hydroxy-3-methoxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 64284611

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 113255795) is 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cn1cccnc1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is NJKHTOISJZUJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c10-9(11,12)6(16)4-14-7(17)5-15-3-1-2-13-8(15)18/h1-3,6,16H,4-5H2,(H,14,17).
What are the key properties of 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 265.19 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 113255795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).