5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione

C14H13N5O4 — CID 154778624

IUPAC5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione
SMILESCOc1ncccc1-c1nc(-c2c(C)n(C)c(=O)[nH]c2=O)no1
InChIInChI=1S/C14H13N5O4/c1-7-9(11(20)17-14(21)19(7)2)10-16-13(23-18-10)8-5-4-6-15-12(8)22-3/h4-6H,1-3H3,(H,17,20,21)
InChIKeyHASZKDRMIJNKDU-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.50
Rot. Bonds3

About 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione

5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 154778624) has the molecular formula C14H13N5O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione
PubChem CID154778624
Molecular FormulaC14H13N5O4
Molecular Weight315.29 g/mol
Exact Mass315.10
IUPAC Name5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione
SMILESCOc1ncccc1-c1nc(-c2c(C)n(C)c(=O)[nH]c2=O)no1
InChIInChI=1S/C14H13N5O4/c1-7-9(11(20)17-14(21)19(7)2)10-16-13(23-18-10)8-5-4-6-15-12(8)22-3/h4-6H,1-3H3,(H,17,20,21)
InChIKeyHASZKDRMIJNKDU-UHFFFAOYSA-N
XLogP0.50
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

8-(2-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione
CID 56855762
8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione
CID 115925725
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 62876336
5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 55023638
5-(2-methoxy-3-pyridinyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343186
cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62874824
1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione
CID 171562708
5-(2-propan-2-yloxy-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 146124457
3-(5-bromofuran-2-yl)-5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 5303952
2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 118224484
4-[4-(2-methoxy-3-pyridinyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805106
6-ethyl-8-(2-methoxy-3-pyridinyl)-3-methyl-2H-isoquinolin-1-one
CID 90903127

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione (CID 154778624) is 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione is COc1ncccc1-c1nc(-c2c(C)n(C)c(=O)[nH]c2=O)no1.
What is the InChIKey of 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is HASZKDRMIJNKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4/c1-7-9(11(20)17-14(21)19(7)2)10-16-13(23-18-10)8-5-4-6-15-12(8)22-3/h4-6H,1-3H3,(H,17,20,21).
What are the key properties of 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione?
5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione has a molecular weight of 315.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 154778624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).