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

C22H26N4O6 — CID 134141331

IUPAC2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCN(C)C(=O)c1cccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc12.NCCO
InChIInChI=1S/C20H19N3O5.C2H7NO/c1-23(2)18(25)14-5-3-4-12-10-11(6-8-13(12)14)7-9-15-16(19(26)27)21-20(28)22-17(15)24;3-1-2-4/h3-6,8,10H,7,9H2,1-2H3,(H,26,27)(H2,21,22,24,28);4H,1-3H2
InChIKeyZVRNVZYHDHNSDC-UHFFFAOYSA-N
MW442.47 g/mol
LogP0.34
Rot. Bonds6

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

2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134141331) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134141331
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCN(C)C(=O)c1cccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc12.NCCO
InChIInChI=1S/C20H19N3O5.C2H7NO/c1-23(2)18(25)14-5-3-4-12-10-11(6-8-13(12)14)7-9-15-16(19(26)27)21-20(28)22-17(15)24;3-1-2-4/h3-6,8,10H,7,9H2,1-2H3,(H,26,27)(H2,21,22,24,28);4H,1-3H2
InChIKeyZVRNVZYHDHNSDC-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

Analyze 2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)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-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134139862
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-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134141331) is 2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CN(C)C(=O)c1cccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc12.NCCO.
What is the InChIKey of 2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is ZVRNVZYHDHNSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5.C2H7NO/c1-23(2)18(25)14-5-3-4-12-10-11(6-8-13(12)14)7-9-15-16(19(26)27)21-20(28)22-17(15)24;3-1-2-4/h3-6,8,10H,7,9H2,1-2H3,(H,26,27)(H2,21,22,24,28);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[2-[5-(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-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134141331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).