3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide

C19H23F3N4O4 — CID 70833574

IUPAC3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
SMILESCCN(CC)CCn1c(=O)cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H23F3N4O4/c1-3-25(4-2)9-10-26-16(27)11-14(24-18(26)29)17(28)23-12-13-7-5-6-8-15(13)30-19(20,21)22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyGBYQAHBBXHTEOT-UHFFFAOYSA-N
MW428.41 g/mol
LogP1.71
Rot. Bonds9

About 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide

3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide (PubChem CID 70833574) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
PubChem CID70833574
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
SMILESCCN(CC)CCn1c(=O)cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H23F3N4O4/c1-3-25(4-2)9-10-26-16(27)11-14(24-18(26)29)17(28)23-12-13-7-5-6-8-15(13)30-19(20,21)22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyGBYQAHBBXHTEOT-UHFFFAOYSA-N
XLogP1.71
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 70833572
4-[[(3-benzyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-3-(trifluoromethoxy)benzoic acid
CID 68757817
3-benzyl-2,4-dioxo-N-[[4-(1-phenylethylcarbamoyl)-2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 91358570
5-[4-[[(3-benzyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 68798913
3-benzyl-N-[[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(trifluoromethoxy)phenyl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 89012755
3-methyl-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121025333
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
2,6-dioxo-3-(phenylmethoxymethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 68787934
3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
1-[2-(diethylamino)ethyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111848271
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24565559
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide (CID 70833574) is 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide is CCN(CC)CCn1c(=O)cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide?
The InChIKey is GBYQAHBBXHTEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O4/c1-3-25(4-2)9-10-26-16(27)11-14(24-18(26)29)17(28)23-12-13-7-5-6-8-15(13)30-19(20,21)22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide?
3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 70833574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).