2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H8F3N3O2 — CID 115696888

IUPAC2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnccc1=O)NCC(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-13-6(15)3-14-5-12-2-1-7(14)16/h1-2,5H,3-4H2,(H,13,15)
InChIKeySPCRWGRRAUABEX-UHFFFAOYSA-N
MW235.16 g/mol
LogP-0.08
Rot. Bonds3

About 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115696888) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115696888
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnccc1=O)NCC(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-13-6(15)3-14-5-12-2-1-7(14)16/h1-2,5H,3-4H2,(H,13,15)
InChIKeySPCRWGRRAUABEX-UHFFFAOYSA-N
XLogP-0.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-Difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one
CID 178099242
3-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrimidin-4-one
CID 63768285
3-[2-(2,2,2-Trifluoroethylamino)ethyl]pyrimidin-4-one
CID 63795974
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66309274
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66309569
5-Iodo-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one
CID 66310371
3-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one
CID 103366592
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582323
2,2,2-trifluoroethyl N-[2-(6-oxopyrimidin-1-yl)ethyl]carbamate
CID 126832929
6-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 136666377
2-(4-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 139023608
3-[2-(Methylamino)ethyl]pyrimidin-4-one
CID 63768123

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 115696888) is 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cnccc1=O)NCC(F)(F)F.
What is the InChIKey of 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SPCRWGRRAUABEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)4-13-6(15)3-14-5-12-2-1-7(14)16/h1-2,5H,3-4H2,(H,13,15).
What are the key properties of 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 235.16 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115696888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).