5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C10H13N3O5 — CID 1249876

IUPAC5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1CN1CCOCC1
InChIInChI=1S/C10H13N3O5/c14-8-6(5-13-1-3-18-4-2-13)7(9(15)16)11-10(17)12-8/h1-5H2,(H,15,16)(H2,11,12,14,17)
InChIKeyBTAAWDRBONCNRB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.41
Rot. Bonds3

About 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 1249876) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID1249876
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1CN1CCOCC1
InChIInChI=1S/C10H13N3O5/c14-8-6(5-13-1-3-18-4-2-13)7(9(15)16)11-10(17)12-8/h1-5H2,(H,15,16)(H2,11,12,14,17)
InChIKeyBTAAWDRBONCNRB-UHFFFAOYSA-N
XLogP-1.41
TPSA115.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 1249876) is 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1[nH]c(=O)[nH]c(=O)c1CN1CCOCC1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is BTAAWDRBONCNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-8-6(5-13-1-3-18-4-2-13)7(9(15)16)11-10(17)12-8/h1-5H2,(H,15,16)(H2,11,12,14,17).
What are the key properties of 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 1249876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).