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

C22H26N4O6 — CID 134132121

IUPAC2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCNC(=O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1.NCCO
InChIInChI=1S/C20H19N3O5.C2H7NO/c1-2-21-17(24)14-7-6-12-9-11(3-5-13(12)10-14)4-8-15-16(19(26)27)22-20(28)23-18(15)25;3-1-2-4/h3,5-7,9-10H,2,4,8H2,1H3,(H,21,24)(H,26,27)(H2,22,23,25,28);4H,1-3H2
InChIKeyJSBJJAGWNVSNCI-UHFFFAOYSA-N
MW442.47 g/mol
LogP0.39
Rot. Bonds7

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

2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134132121) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134132121
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCNC(=O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1.NCCO
InChIInChI=1S/C20H19N3O5.C2H7NO/c1-2-21-17(24)14-7-6-12-9-11(3-5-13(12)10-14)4-8-15-16(19(26)27)22-20(28)23-18(15)25;3-1-2-4/h3,5-7,9-10H,2,4,8H2,1H3,(H,21,24)(H,26,27)(H2,22,23,25,28);4H,1-3H2
InChIKeyJSBJJAGWNVSNCI-UHFFFAOYSA-N
XLogP0.39
TPSA178.37 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 50.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134132121) is 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CCNC(=O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1.NCCO.
What is the InChIKey of 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is JSBJJAGWNVSNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5.C2H7NO/c1-2-21-17(24)14-7-6-12-9-11(3-5-13(12)10-14)4-8-15-16(19(26)27)22-20(28)23-18(15)25;3-1-2-4/h3,5-7,9-10H,2,4,8H2,1H3,(H,21,24)(H,26,27)(H2,22,23,25,28);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 442.47 g/mol, XLogP of 0.39, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134132121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).