N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C24H19F3N6O4 — CID 68795361

IUPACN-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1ncc(-c2ccc(CN(Cc3ccccc3)C(=O)c3cc(=O)[nH]c(=O)[nH]3)c(OC(F)(F)F)c2)cn1
InChIInChI=1S/C24H19F3N6O4/c25-24(26,27)37-19-8-15(17-10-29-22(28)30-11-17)6-7-16(19)13-33(12-14-4-2-1-3-5-14)21(35)18-9-20(34)32-23(36)31-18/h1-11H,12-13H2,(H2,28,29,30)(H2,31,32,34,36)
InChIKeyPFADEOMVESXRDK-UHFFFAOYSA-N
MW512.45 g/mol
LogP2.84
Rot. Bonds7

About N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 68795361) has the molecular formula C24H19F3N6O4 and a molecular weight of 512.45 g/mol. Its IUPAC name is N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID68795361
Molecular FormulaC24H19F3N6O4
Molecular Weight512.45 g/mol
Exact Mass512.14
IUPAC NameN-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNc1ncc(-c2ccc(CN(Cc3ccccc3)C(=O)c3cc(=O)[nH]c(=O)[nH]3)c(OC(F)(F)F)c2)cn1
InChIInChI=1S/C24H19F3N6O4/c25-24(26,27)37-19-8-15(17-10-29-22(28)30-11-17)6-7-16(19)13-33(12-14-4-2-1-3-5-14)21(35)18-9-20(34)32-23(36)31-18/h1-11H,12-13H2,(H2,28,29,30)(H2,31,32,34,36)
InChIKeyPFADEOMVESXRDK-UHFFFAOYSA-N
XLogP2.84
TPSA147.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.45
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]-2-(trifluoromethoxy)phenyl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 68761427
5-[4-[[(3-benzyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 68798913
N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide
CID 10238595
3-benzyl-N-[[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(trifluoromethoxy)phenyl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 89012755
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
4-[[(3-benzyl-2,6-dioxopyrimidine-4-carbonyl)amino]methyl]-3-(trifluoromethoxy)benzoic acid
CID 68759102
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
4-[[(3-benzyl-2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]-3-(trifluoromethoxy)benzoic acid
CID 68757817
2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
CID 68756527
N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 56888778
N-benzyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]furan-2-carboxamide
CID 59740701
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 68795361) is N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is Nc1ncc(-c2ccc(CN(Cc3ccccc3)C(=O)c3cc(=O)[nH]c(=O)[nH]3)c(OC(F)(F)F)c2)cn1.
What is the InChIKey of N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is PFADEOMVESXRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O4/c25-24(26,27)37-19-8-15(17-10-29-22(28)30-11-17)6-7-16(19)13-33(12-14-4-2-1-3-5-14)21(35)18-9-20(34)32-23(36)31-18/h1-11H,12-13H2,(H2,28,29,30)(H2,31,32,34,36).
What are the key properties of N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 512.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminopyrimidin-5-yl)-2-(trifluoromethoxy)phenyl]methyl]-N-benzyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 68795361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).