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

C9H14N3O3+ — CID 6937599

IUPAC5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C[NH+]2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c13-8-7(5-10-9(14)11-8)6-12-1-3-15-4-2-12/h5H,1-4,6H2,(H2,10,11,13,14)/p+1
InChIKeyMCFFNLIPFGEAOH-UHFFFAOYSA-O
MW212.23 g/mol
LogP-2.52
Rot. Bonds2

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

5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 6937599) has the molecular formula C9H14N3O3+ and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID6937599
Molecular FormulaC9H14N3O3+
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C[NH+]2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c13-8-7(5-10-9(14)11-8)6-12-1-3-15-4-2-12/h5H,1-4,6H2,(H2,10,11,13,14)/p+1
InChIKeyMCFFNLIPFGEAOH-UHFFFAOYSA-O
XLogP-2.52
TPSA79.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-2.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione (CID 6937599) is 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C[NH+]2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MCFFNLIPFGEAOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3O3/c13-8-7(5-10-9(14)11-8)6-12-1-3-15-4-2-12/h5H,1-4,6H2,(H2,10,11,13,14)/p+1.
What are the key properties of 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione?
5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 212.23 g/mol, XLogP of -2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6937599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).