N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide

C20H28N4O6 — CID 55340674

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccc(OC)cc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H28N4O6/c1-12(2)11-24-17(21)16(18(25)22-20(24)27)23(8-9-28-3)19(26)14-7-6-13(29-4)10-15(14)30-5/h6-7,10,12H,8-9,11,21H2,1-5H3,(H,22,25,27)
InChIKeySLXBIJDAWCALBM-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.09
Rot. Bonds9

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide (PubChem CID 55340674) has the molecular formula C20H28N4O6 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
PubChem CID55340674
Molecular FormulaC20H28N4O6
Molecular Weight420.47 g/mol
Exact Mass420.20
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccc(OC)cc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H28N4O6/c1-12(2)11-24-17(21)16(18(25)22-20(24)27)23(8-9-28-3)19(26)14-7-6-13(29-4)10-15(14)30-5/h6-7,10,12H,8-9,11,21H2,1-5H3,(H,22,25,27)
InChIKeySLXBIJDAWCALBM-UHFFFAOYSA-N
XLogP1.09
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide (CID 55340674) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1ccc(OC)cc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is SLXBIJDAWCALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6/c1-12(2)11-24-17(21)16(18(25)22-20(24)27)23(8-9-28-3)19(26)14-7-6-13(29-4)10-15(14)30-5/h6-7,10,12H,8-9,11,21H2,1-5H3,(H,22,25,27).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 420.47 g/mol, XLogP of 1.09, 9 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-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 55340674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).