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

C22H26N4O7 — CID 134139862

IUPAC2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCO.O=C(NCCO)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1
InChIInChI=1S/C20H19N3O6.C2H7NO/c24-8-7-21-17(25)14-5-4-12-9-11(1-3-13(12)10-14)2-6-15-16(19(27)28)22-20(29)23-18(15)26;3-1-2-4/h1,3-5,9-10,24H,2,6-8H2,(H,21,25)(H,27,28)(H2,22,23,26,29);4H,1-3H2
InChIKeyGVLZJISQIGIPTE-UHFFFAOYSA-N
MW458.47 g/mol
LogP-0.64
Rot. Bonds8

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

2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134139862) has the molecular formula C22H26N4O7 and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134139862
Molecular FormulaC22H26N4O7
Molecular Weight458.47 g/mol
Exact Mass458.18
IUPAC Name2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCO.O=C(NCCO)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1
InChIInChI=1S/C20H19N3O6.C2H7NO/c24-8-7-21-17(25)14-5-4-12-9-11(1-3-13(12)10-14)2-6-15-16(19(27)28)22-20(29)23-18(15)26;3-1-2-4/h1,3-5,9-10,24H,2,6-8H2,(H,21,25)(H,27,28)(H2,22,23,26,29);4H,1-3H2
InChIKeyGVLZJISQIGIPTE-UHFFFAOYSA-N
XLogP-0.64
TPSA198.60 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 5-0.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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

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Related Compounds

bis(2-aminoethanol);5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134137084
2-aminoethanol;2,4-dioxo-5-[2-(4-phenylphenyl)ethyl]-1H-pyrimidine-6-carboxylic acid
CID 134154436
bis(2-aminoethanol);5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134155043
methyl (E)-4-[5-ethyl-6-(naphthalene-1-carbonyl)-2,4-dioxo-pyrimidin-1-yl]but-2-enoate
CID 16074513
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide
CID 2547125
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 24980053
2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134132121
2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134133820
2-aminoethanol;5-[2-(5-methoxycarbonylnaphthalen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134138701
2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134141331
2-aminoethanol;5-[2-(3-carbamoylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134142176
2-aminoethanol;5-[4-(5-methoxycarbonylnaphthalen-2-yl)butyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134143841

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134139862) is 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is NCCO.O=C(NCCO)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1.
What is the InChIKey of 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is GVLZJISQIGIPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6.C2H7NO/c24-8-7-21-17(25)14-5-4-12-9-11(1-3-13(12)10-14)2-6-15-16(19(27)28)22-20(29)23-18(15)26;3-1-2-4/h1,3-5,9-10,24H,2,6-8H2,(H,21,25)(H,27,28)(H2,22,23,26,29);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 458.47 g/mol, XLogP of -0.64, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134139862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).