2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C21H24N4O6 — CID 134133820

IUPAC2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCO.O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H17N3O5.C2H7NO/c23-16(13-8-3-6-11-5-1-2-7-12(11)13)20-10-4-9-14-15(18(25)26)21-19(27)22-17(14)24;3-1-2-4/h1-3,5-8H,4,9-10H2,(H,20,23)(H,25,26)(H2,21,22,24,27);4H,1-3H2
InChIKeyRUWXPRRCQFIUPO-UHFFFAOYSA-N
MW428.45 g/mol
LogP0.21
Rot. Bonds7

About 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134133820) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134133820
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCO.O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H17N3O5.C2H7NO/c23-16(13-8-3-6-11-5-1-2-7-12(11)13)20-10-4-9-14-15(18(25)26)21-19(27)22-17(14)24;3-1-2-4/h1-3,5-8H,4,9-10H2,(H,20,23)(H,25,26)(H2,21,22,24,27);4H,1-3H2
InChIKeyRUWXPRRCQFIUPO-UHFFFAOYSA-N
XLogP0.21
TPSA178.37 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 50.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134133820) is 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is NCCO.O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCCNC(=O)c1cccc2ccccc12.
What is the InChIKey of 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is RUWXPRRCQFIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5.C2H7NO/c23-16(13-8-3-6-11-5-1-2-7-12(11)13)20-10-4-9-14-15(18(25)26)21-19(27)22-17(14)24;3-1-2-4/h1-3,5-8H,4,9-10H2,(H,20,23)(H,25,26)(H2,21,22,24,27);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 428.45 g/mol, XLogP of 0.21, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134133820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).