2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C19H21N3O5 — CID 134157478

IUPAC2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCO.O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O4.C2H7NO/c20-15-13(14(16(21)22)18-17(23)19-15)8-6-10-5-7-11-3-1-2-4-12(11)9-10;3-1-2-4/h1-5,7,9H,6,8H2,(H,21,22)(H2,18,19,20,23);4H,1-3H2
InChIKeyXKRQHMRWLAAMPC-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.64
Rot. Bonds5

About 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134157478) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134157478
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCO.O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O4.C2H7NO/c20-15-13(14(16(21)22)18-17(23)19-15)8-6-10-5-7-11-3-1-2-4-12(11)9-10;3-1-2-4/h1-5,7,9H,6,8H2,(H,21,22)(H2,18,19,20,23);4H,1-3H2
InChIKeyXKRQHMRWLAAMPC-UHFFFAOYSA-N
XLogP0.64
TPSA149.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134139256
2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid
CID 71816172
5-(2-isoquinolin-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134137429
CID 173442082
CID 173442082
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
10-naphthalen-2-yldecanoic acid
CID 21478009
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
3,5-bis(2-naphthalen-2-ylethyl)phenol
CID 171715370
sodium 2-naphthalen-2-ylacetate
CID 23688045

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134157478) is 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is NCCO.O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2ccccc2c1.
What is the InChIKey of 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is XKRQHMRWLAAMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4.C2H7NO/c20-15-13(14(16(21)22)18-17(23)19-15)8-6-10-5-7-11-3-1-2-4-12(11)9-10;3-1-2-4/h1-5,7,9H,6,8H2,(H,21,22)(H2,18,19,20,23);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134157478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).