1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione

C11H15N5O3 — CID 103744522

IUPAC1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCCc2ncno2)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N5O3/c1-15-6-8(10(17)16(2)11(15)18)5-12-4-3-9-13-7-14-19-9/h6-7,12H,3-5H2,1-2H3
InChIKeyDXEYBPBKDDYVTI-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.20
Rot. Bonds5

About 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 103744522) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID103744522
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCCc2ncno2)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N5O3/c1-15-6-8(10(17)16(2)11(15)18)5-12-4-3-9-13-7-14-19-9/h6-7,12H,3-5H2,1-2H3
InChIKeyDXEYBPBKDDYVTI-UHFFFAOYSA-N
XLogP-1.20
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 103744522) is 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione is Cn1cc(CNCCc2ncno2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is DXEYBPBKDDYVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-15-6-8(10(17)16(2)11(15)18)5-12-4-3-9-13-7-14-19-9/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 265.27 g/mol, XLogP of -1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 103744522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).