2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide

C21H18F3N3O5 — CID 68787934

IUPAC2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1cc(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C21H18F3N3O5/c22-21(23,24)32-17-9-5-4-8-15(17)11-25-19(29)16-10-18(28)26-20(30)27(16)13-31-12-14-6-2-1-3-7-14/h1-10H,11-13H2,(H,25,29)(H,26,28,30)
InChIKeyCNIAHDNFJNPVFP-UHFFFAOYSA-N
MW449.39 g/mol
LogP2.54
Rot. Bonds8

About 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide

2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide (PubChem CID 68787934) has the molecular formula C21H18F3N3O5 and a molecular weight of 449.39 g/mol. Its IUPAC name is 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
PubChem CID68787934
Molecular FormulaC21H18F3N3O5
Molecular Weight449.39 g/mol
Exact Mass449.12
IUPAC Name2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1cc(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C21H18F3N3O5/c22-21(23,24)32-17-9-5-4-8-15(17)11-25-19(29)16-10-18(28)26-20(30)27(16)13-31-12-14-6-2-1-3-7-14/h1-10H,11-13H2,(H,25,29)(H,26,28,30)
InChIKeyCNIAHDNFJNPVFP-UHFFFAOYSA-N
XLogP2.54
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3-benzyl-2,6-dioxopyrimidine-4-carbonyl)amino]methyl]-3-(trifluoromethoxy)benzoic acid
CID 68759102
3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121025333
4-[[(3-benzyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-3-(trifluoromethoxy)benzoic acid
CID 68757817
3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 70833574
3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 70833572
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
3-benzyl-N-[[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(trifluoromethoxy)phenyl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 89012755
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
3-benzyl-2,4-dioxo-N-[[4-(1-phenylethylcarbamoyl)-2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 91358570

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide (CID 68787934) is 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)c1cc(=O)[nH]c(=O)n1COCc1ccccc1.
What is the InChIKey of 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is CNIAHDNFJNPVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O5/c22-21(23,24)32-17-9-5-4-8-15(17)11-25-19(29)16-10-18(28)26-20(30)27(16)13-31-12-14-6-2-1-3-7-14/h1-10H,11-13H2,(H,25,29)(H,26,28,30).
What are the key properties of 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide?
2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 449.39 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 68787934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).