2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C9H15N3O5 — CID 6451273

IUPAC2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCN(C)CCO.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C4H11NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-5(2)3-4-6/h1H,(H,9,10)(H2,6,7,8,11);6H,3-4H2,1-2H3
InChIKeyROHGCLWGNSVXHD-UHFFFAOYSA-N
MW245.23 g/mol
LogP-1.70
Rot. Bonds3

About 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 6451273) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID6451273
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCN(C)CCO.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C4H11NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-5(2)3-4-6/h1H,(H,9,10)(H2,6,7,8,11);6H,3-4H2,1-2H3
InChIKeyROHGCLWGNSVXHD-UHFFFAOYSA-N
XLogP-1.70
TPSA126.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 6451273) is 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CN(C)CCO.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is ROHGCLWGNSVXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C4H11NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-5(2)3-4-6/h1H,(H,9,10)(H2,6,7,8,11);6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of -1.70, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 6451273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).