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

C21H24N4O6 — CID 134146963

IUPAC2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCNC(=O)c1cccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc12.NCCO
InChIInChI=1S/C19H17N3O5.C2H7NO/c1-20-16(23)13-4-2-3-11-9-10(5-7-12(11)13)6-8-14-15(18(25)26)21-19(27)22-17(14)24;3-1-2-4/h2-5,7,9H,6,8H2,1H3,(H,20,23)(H,25,26)(H2,21,22,24,27);4H,1-3H2
InChIKeyLYJZYZWQOIQTPL-UHFFFAOYSA-N
MW428.45 g/mol
LogP-0.00
Rot. Bonds6

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

2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134146963) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134146963
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCNC(=O)c1cccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc12.NCCO
InChIInChI=1S/C19H17N3O5.C2H7NO/c1-20-16(23)13-4-2-3-11-9-10(5-7-12(11)13)6-8-14-15(18(25)26)21-19(27)22-17(14)24;3-1-2-4/h2-5,7,9H,6,8H2,1H3,(H,20,23)(H,25,26)(H2,21,22,24,27);4H,1-3H2
InChIKeyLYJZYZWQOIQTPL-UHFFFAOYSA-N
XLogP-0.00
TPSA178.37 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 5-0.00
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-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134146963) is 2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CNC(=O)c1cccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc12.NCCO.
What is the InChIKey of 2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is LYJZYZWQOIQTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5.C2H7NO/c1-20-16(23)13-4-2-3-11-9-10(5-7-12(11)13)6-8-14-15(18(25)26)21-19(27)22-17(14)24;3-1-2-4/h2-5,7,9H,6,8H2,1H3,(H,20,23)(H,25,26)(H2,21,22,24,27);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 428.45 g/mol, XLogP of -0.00, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134146963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).