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

C16H21N3O6 — CID 134132231

IUPAC2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCOc1ccccc1CCc1c(C(=O)O)[nH]c(=O)[nH]c1=O.NCCO
InChIInChI=1S/C14H14N2O5.C2H7NO/c1-21-10-5-3-2-4-8(10)6-7-9-11(13(18)19)15-14(20)16-12(9)17;3-1-2-4/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20);4H,1-3H2
InChIKeyRPNIGNWDCBUWBK-UHFFFAOYSA-N
MW351.36 g/mol
LogP-0.51
Rot. Bonds6

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

2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134132231) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134132231
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCOc1ccccc1CCc1c(C(=O)O)[nH]c(=O)[nH]c1=O.NCCO
InChIInChI=1S/C14H14N2O5.C2H7NO/c1-21-10-5-3-2-4-8(10)6-7-9-11(13(18)19)15-14(20)16-12(9)17;3-1-2-4/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20);4H,1-3H2
InChIKeyRPNIGNWDCBUWBK-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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Related Compounds

2-aminoethanol;5-[2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134135152
2-aminoethanol;5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134150360
N-[(2-methoxybenzyl)carbamoyl]-L-phenylalanine
CID 664204
2-aminoethanol;5-[2-(3,5-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134131421
2-aminoethanol;5-[2-(3-methoxycarbonylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134133701
2-aminoethanol;5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134134663
2-aminoethanol;5-[4-(3-methoxycarbonylphenyl)butyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134135269
2-aminoethanol;5-[4-(4-methoxycarbonylphenyl)butyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134138544
2-aminoethanol;5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134140885
2-aminoethanol;5-[2-(2-methoxycarbonylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134141210
2-aminoethanol;5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134143212
2-aminoethanol;5-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134143381

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134132231) is 2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is COc1ccccc1CCc1c(C(=O)O)[nH]c(=O)[nH]c1=O.NCCO.
What is the InChIKey of 2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is RPNIGNWDCBUWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5.C2H7NO/c1-21-10-5-3-2-4-8(10)6-7-9-11(13(18)19)15-14(20)16-12(9)17;3-1-2-4/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20);4H,1-3H2.
What are the key properties of 2-aminoethanol;5-[2-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoethanol;5-[2-(2-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-(2-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134132231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).