N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C26H29F3N6O3 — CID 4830999

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H29F3N6O3/c1-2-34(22-23(30)35(25(38)31-24(22)37)16-18-7-4-3-5-8-18)21(36)17-32-11-13-33(14-12-32)20-10-6-9-19(15-20)26(27,28)29/h3-10,15H,2,11-14,16-17,30H2,1H3,(H,31,37,38)
InChIKeyFDZQMJNFMMZITR-UHFFFAOYSA-N
MW530.55 g/mol
LogP2.36
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 4830999) has the molecular formula C26H29F3N6O3 and a molecular weight of 530.55 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID4830999
Molecular FormulaC26H29F3N6O3
Molecular Weight530.55 g/mol
Exact Mass530.23
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H29F3N6O3/c1-2-34(22-23(30)35(25(38)31-24(22)37)16-18-7-4-3-5-8-18)21(36)17-32-11-13-33(14-12-32)20-10-6-9-19(15-20)26(27,28)29/h3-10,15H,2,11-14,16-17,30H2,1H3,(H,31,37,38)
InChIKeyFDZQMJNFMMZITR-UHFFFAOYSA-N
XLogP2.36
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.55
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 4830999) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is FDZQMJNFMMZITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O3/c1-2-34(22-23(30)35(25(38)31-24(22)37)16-18-7-4-3-5-8-18)21(36)17-32-11-13-33(14-12-32)20-10-6-9-19(15-20)26(27,28)29/h3-10,15H,2,11-14,16-17,30H2,1H3,(H,31,37,38).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 530.55 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 4830999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).