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

C16H21N3O6 — CID 134143381

IUPAC2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCOc1ccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1.NCCO
InChIInChI=1S/C14H14N2O5.C2H7NO/c1-21-9-5-2-8(3-6-9)4-7-10-11(13(18)19)15-14(20)16-12(10)17;3-1-2-4/h2-3,5-6H,4,7H2,1H3,(H,18,19)(H2,15,16,17,20);4H,1-3H2
InChIKeyRZFSMUVAASEHGE-UHFFFAOYSA-N
MW351.36 g/mol
LogP-0.51
Rot. Bonds6

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

2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134143381) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134143381
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCOc1ccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1.NCCO
InChIInChI=1S/C14H14N2O5.C2H7NO/c1-21-9-5-2-8(3-6-9)4-7-10-11(13(18)19)15-14(20)16-12(10)17;3-1-2-4/h2-3,5-6H,4,7H2,1H3,(H,18,19)(H2,15,16,17,20);4H,1-3H2
InChIKeyRZFSMUVAASEHGE-UHFFFAOYSA-N
XLogP-0.51
TPSA158.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134143381) is 2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is COc1ccc(CCc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1.NCCO.
What is the InChIKey of 2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is RZFSMUVAASEHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5.C2H7NO/c1-21-9-5-2-8(3-6-9)4-7-10-11(13(18)19)15-14(20)16-12(10)17;3-1-2-4/h2-3,5-6H,4,7H2,1H3,(H,18,19)(H2,15,16,17,20);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 351.36 g/mol, XLogP of -0.51, 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-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134143381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).