1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione

C11H15N5O3 — CID 106399805

IUPAC1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCCc2ncno2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H15N5O3/c1-15-8(5-10(17)16(2)11(15)18)6-12-4-3-9-13-7-14-19-9/h5,7,12H,3-4,6H2,1-2H3
InChIKeyISNSGXATDXVALN-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.20
Rot. Bonds5

About 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 106399805) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID106399805
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCn1c(CNCCc2ncno2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H15N5O3/c1-15-8(5-10(17)16(2)11(15)18)6-12-4-3-9-13-7-14-19-9/h5,7,12H,3-4,6H2,1-2H3
InChIKeyISNSGXATDXVALN-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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Related Compounds

(E)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-enamide
CID 103744070
6-Amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744373
6-Amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 103744379
6-Amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744396
6-Amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744416
1,3-Dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 103744522
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106391530
1,3-Dimethyl-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 106398119
2-[[2-(1,2,4-Oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106399609
1,3-Dimethyl-6-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 106400634
6-Amino-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-dione
CID 106402491
6-Amino-1-(2-methylpropyl)-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 106403908

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 106399805) is 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione is Cn1c(CNCCc2ncno2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is ISNSGXATDXVALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-15-8(5-10(17)16(2)11(15)18)6-12-4-3-9-13-7-14-19-9/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[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-6-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106399805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).