N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide

C13H11F3N4O3 — CID 45118928

IUPACN-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1c(=O)[nH]c(N)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C13H11F3N4O3/c1-20-11(22)8(9(17)19-12(20)23)18-10(21)6-2-4-7(5-3-6)13(14,15)16/h2-5H,17H2,1H3,(H,18,21)(H,19,23)
InChIKeyJYYJDTZPALGLDP-UHFFFAOYSA-N
MW328.25 g/mol
LogP0.93
Rot. Bonds2

About N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide

N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 45118928) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID45118928
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC NameN-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1c(=O)[nH]c(N)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C13H11F3N4O3/c1-20-11(22)8(9(17)19-12(20)23)18-10(21)6-2-4-7(5-3-6)13(14,15)16/h2-5H,17H2,1H3,(H,18,21)(H,19,23)
InChIKeyJYYJDTZPALGLDP-UHFFFAOYSA-N
XLogP0.93
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide 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-(2-amino-6-methylphenyl)-4-(trifluoromethyl)benzamide
CID 43152274
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792045
N-(6-amino-2,4-dioxo-3-prop-2-ynyl-1H-pyrimidin-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 163254673
N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-(trifluoromethyl)benzamide
CID 136782525
N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide
CID 171978184
N-[4-amino-2-(2-hydroxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 135701117
N-[4-amino-2-[(2S)-butan-2-yl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 135701112
N-(4-amino-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 135705908
ethyl 2,2-difluoro-2-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]acetate
CID 142688452
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792140
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-(4-amino-6-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 135701115

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide (CID 45118928) is N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide is Cn1c(=O)[nH]c(N)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is JYYJDTZPALGLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c1-20-11(22)8(9(17)19-12(20)23)18-10(21)6-2-4-7(5-3-6)13(14,15)16/h2-5H,17H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 328.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 45118928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).