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

C17H23N3O5 — CID 134139256

IUPAC2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCc1ccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1.NCCO
InChIInChI=1S/C15H16N2O4.C2H7NO/c1-2-9-3-5-10(6-4-9)7-8-11-12(14(19)20)16-15(21)17-13(11)18;3-1-2-4/h3-6H,2,7-8H2,1H3,(H,19,20)(H2,16,17,18,21);4H,1-3H2
InChIKeyYZFFBGFQWOJXGV-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.05
Rot. Bonds6

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

2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134139256) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134139256
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCc1ccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1.NCCO
InChIInChI=1S/C15H16N2O4.C2H7NO/c1-2-9-3-5-10(6-4-9)7-8-11-12(14(19)20)16-15(21)17-13(11)18;3-1-2-4/h3-6H,2,7-8H2,1H3,(H,19,20)(H2,16,17,18,21);4H,1-3H2
InChIKeyYZFFBGFQWOJXGV-UHFFFAOYSA-N
XLogP0.05
TPSA149.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134139256) is 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CCc1ccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1.NCCO.
What is the InChIKey of 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is YZFFBGFQWOJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4.C2H7NO/c1-2-9-3-5-10(6-4-9)7-8-11-12(14(19)20)16-15(21)17-13(11)18;3-1-2-4/h3-6H,2,7-8H2,1H3,(H,19,20)(H2,16,17,18,21);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 0.05, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134139256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).