N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C24H26N4O5 — CID 24980798

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H26N4O5/c1-15(2)13-27(23(30)17-8-9-18-19(12-17)33-11-10-32-18)20-21(25)28(24(31)26-22(20)29)14-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14,25H2,1-2H3,(H,26,29,31)
InChIKeyDBHAYXCVOAFJDQ-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.24
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 24980798) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID24980798
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(C)CN(C(=O)c1ccc2c(c1)OCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H26N4O5/c1-15(2)13-27(23(30)17-8-9-18-19(12-17)33-11-10-32-18)20-21(25)28(24(31)26-22(20)29)14-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14,25H2,1-2H3,(H,26,29,31)
InChIKeyDBHAYXCVOAFJDQ-UHFFFAOYSA-N
XLogP2.24
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 24980798) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CC(C)CN(C(=O)c1ccc2c(c1)OCCO2)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-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is DBHAYXCVOAFJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-15(2)13-27(23(30)17-8-9-18-19(12-17)33-11-10-32-18)20-21(25)28(24(31)26-22(20)29)14-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14,25H2,1-2H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.24, 6 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-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 24980798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).