N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide

C10H10F3N3O2 — CID 169466068

IUPACN-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C10H10F3N3O2/c1-6(17)14-4-2-3-7-8(10(11,12)13)15-5-16-9(7)18/h2-3,5H,4H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyLBKUABBZLOJDFZ-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.94
Rot. Bonds3

About N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide

N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide (PubChem CID 169466068) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide
PubChem CID169466068
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC NameN-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C10H10F3N3O2/c1-6(17)14-4-2-3-7-8(10(11,12)13)15-5-16-9(7)18/h2-3,5H,4H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyLBKUABBZLOJDFZ-UHFFFAOYSA-N
XLogP0.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-fluoropropan-2-yl)pyrimidin-4-one
CID 155328207
5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one
CID 166841813
5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one
CID 137262447
5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one
CID 142610499
(2S)-3-[[[(3Z)-hexa-1,3-dien-2-yl]amino]methylideneamino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 162618530
3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enal
CID 169459590
5-(3-azidoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169462315
5-(3-aminoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169464105
tert-butyl N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]carbamate
CID 169468114
5-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169474177
5-(3-bromoprop-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 169476050
3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enamide
CID 169482312

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide (CID 169466068) is N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1c(C(F)(F)F)nc[nH]c1=O.
What is the InChIKey of N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide?
The InChIKey is LBKUABBZLOJDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-6(17)14-4-2-3-7-8(10(11,12)13)15-5-16-9(7)18/h2-3,5H,4H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide?
N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide has a molecular weight of 261.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enyl]acetamide is sourced from PubChem (CID 169466068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).