N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C19H22N4O6 — CID 16548946

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)C2=COCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O6/c1-27-8-7-22-16(20)15(17(24)21-19(22)26)23(11-13-5-3-2-4-6-13)18(25)14-12-28-9-10-29-14/h2-6,12H,7-11,20H2,1H3,(H,21,24,26)
InChIKeyJIVMKQUTGKIGJT-UHFFFAOYSA-N
MW402.41 g/mol
LogP0.19
Rot. Bonds7

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 16548946) has the molecular formula C19H22N4O6 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID16548946
Molecular FormulaC19H22N4O6
Molecular Weight402.41 g/mol
Exact Mass402.15
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)C2=COCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N4O6/c1-27-8-7-22-16(20)15(17(24)21-19(22)26)23(11-13-5-3-2-4-6-13)18(25)14-12-28-9-10-29-14/h2-6,12H,7-11,20H2,1H3,(H,21,24,26)
InChIKeyJIVMKQUTGKIGJT-UHFFFAOYSA-N
XLogP0.19
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-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-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 16548946) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2=COCCO2)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is JIVMKQUTGKIGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6/c1-27-8-7-22-16(20)15(17(24)21-19(22)26)23(11-13-5-3-2-4-6-13)18(25)14-12-28-9-10-29-14/h2-6,12H,7-11,20H2,1H3,(H,21,24,26).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 16548946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).