1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione

C11H16N4O5 — CID 13015293

IUPAC1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione
SMILESCn1c(CN2CCOCC2)c([N+](=O)[O-])c(=O)n(C)c1=O
InChIInChI=1S/C11H16N4O5/c1-12-8(7-14-3-5-20-6-4-14)9(15(18)19)10(16)13(2)11(12)17/h3-7H2,1-2H3
InChIKeyMOPILPAAEPPOHH-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.18
Rot. Bonds3

About 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione

1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione (PubChem CID 13015293) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione
PubChem CID13015293
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione
SMILESCn1c(CN2CCOCC2)c([N+](=O)[O-])c(=O)n(C)c1=O
InChIInChI=1S/C11H16N4O5/c1-12-8(7-14-3-5-20-6-4-14)9(15(18)19)10(16)13(2)11(12)17/h3-7H2,1-2H3
InChIKeyMOPILPAAEPPOHH-UHFFFAOYSA-N
XLogP-1.18
TPSA99.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione (CID 13015293) is 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione is Cn1c(CN2CCOCC2)c([N+](=O)[O-])c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione?
The InChIKey is MOPILPAAEPPOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-12-8(7-14-3-5-20-6-4-14)9(15(18)19)10(16)13(2)11(12)17/h3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione?
1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione has a molecular weight of 284.27 g/mol, XLogP of -1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(morpholin-4-ylmethyl)-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 13015293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).