6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione

C9H14N3O4+ — CID 7290071

IUPAC6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(C[NH+]2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h1-5H2,(H3,10,11,13,14,15)/p+1
InChIKeyYPXGGSJLJXAEPY-UHFFFAOYSA-O
MW228.23 g/mol
LogP-2.82
Rot. Bonds2

About 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione

6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 7290071) has the molecular formula C9H14N3O4+ and a molecular weight of 228.23 g/mol. Its IUPAC name is 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID7290071
Molecular FormulaC9H14N3O4+
Molecular Weight228.23 g/mol
Exact Mass228.10
IUPAC Name6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(C[NH+]2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h1-5H2,(H3,10,11,13,14,15)/p+1
InChIKeyYPXGGSJLJXAEPY-UHFFFAOYSA-O
XLogP-2.82
TPSA99.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-2.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione (CID 7290071) is 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(C[NH+]2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YPXGGSJLJXAEPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h1-5H2,(H3,10,11,13,14,15)/p+1.
What are the key properties of 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 228.23 g/mol, XLogP of -2.82, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7290071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).