3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione

C11H16N4O3 — CID 177389383

IUPAC3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C)c(=O)c1/C=N/N1CCOCC1
InChIInChI=1S/C11H16N4O3/c1-8-9(10(16)14(2)11(17)13-8)7-12-15-3-5-18-6-4-15/h7H,3-6H2,1-2H3,(H,13,17)/b12-7+
InChIKeyUXGSTDMRZXGSLA-KPKJPENVSA-N
MW252.27 g/mol
LogP-0.95
Rot. Bonds2

About 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione

3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione (PubChem CID 177389383) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione
PubChem CID177389383
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C)c(=O)c1/C=N/N1CCOCC1
InChIInChI=1S/C11H16N4O3/c1-8-9(10(16)14(2)11(17)13-8)7-12-15-3-5-18-6-4-15/h7H,3-6H2,1-2H3,(H,13,17)/b12-7+
InChIKeyUXGSTDMRZXGSLA-KPKJPENVSA-N
XLogP-0.95
TPSA79.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione (CID 177389383) is 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(C)c(=O)c1/C=N/N1CCOCC1.
What is the InChIKey of 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UXGSTDMRZXGSLA-KPKJPENVSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-9(10(16)14(2)11(17)13-8)7-12-15-3-5-18-6-4-15/h7H,3-6H2,1-2H3,(H,13,17)/b12-7+.
What are the key properties of 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione?
3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-[(E)-morpholin-4-yliminomethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 177389383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).