2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C22H26N4O6 — CID 134151915

IUPAC2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCN(C)C(=O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1.NCCO
InChIInChI=1S/C20H19N3O5.C2H7NO/c1-23(2)18(25)14-7-6-12-9-11(3-5-13(12)10-14)4-8-15-16(19(26)27)21-20(28)22-17(15)24;3-1-2-4/h3,5-7,9-10H,4,8H2,1-2H3,(H,26,27)(H2,21,22,24,28);4H,1-3H2
InChIKeyAYBOICLXIPEDIQ-UHFFFAOYSA-N
MW442.47 g/mol
LogP0.34
Rot. Bonds6

About 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134151915) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134151915
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCN(C)C(=O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1.NCCO
InChIInChI=1S/C20H19N3O5.C2H7NO/c1-23(2)18(25)14-7-6-12-9-11(3-5-13(12)10-14)4-8-15-16(19(26)27)21-20(28)22-17(15)24;3-1-2-4/h3,5-7,9-10H,4,8H2,1-2H3,(H,26,27)(H2,21,22,24,28);4H,1-3H2
InChIKeyAYBOICLXIPEDIQ-UHFFFAOYSA-N
XLogP0.34
TPSA169.58 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 50.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134151915) is 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CN(C)C(=O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1.NCCO.
What is the InChIKey of 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is AYBOICLXIPEDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5.C2H7NO/c1-23(2)18(25)14-7-6-12-9-11(3-5-13(12)10-14)4-8-15-16(19(26)27)21-20(28)22-17(15)24;3-1-2-4/h3,5-7,9-10H,4,8H2,1-2H3,(H,26,27)(H2,21,22,24,28);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 442.47 g/mol, XLogP of 0.34, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134151915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).