3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one

C13H15N5O4 — CID 75446528

IUPAC3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one
SMILESCOCc1nn(Cc2nc(N)c3c(C)c(C)oc3n2)c(=O)o1
InChIInChI=1S/C13H15N5O4/c1-6-7(2)21-12-10(6)11(14)15-8(16-12)4-18-13(19)22-9(17-18)5-20-3/h4-5H2,1-3H3,(H2,14,15,16)
InChIKeyXLMPJMMNKJVROZ-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.77
Rot. Bonds4

About 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one

3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one (PubChem CID 75446528) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one
PubChem CID75446528
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one
SMILESCOCc1nn(Cc2nc(N)c3c(C)c(C)oc3n2)c(=O)o1
InChIInChI=1S/C13H15N5O4/c1-6-7(2)21-12-10(6)11(14)15-8(16-12)4-18-13(19)22-9(17-18)5-20-3/h4-5H2,1-3H3,(H2,14,15,16)
InChIKeyXLMPJMMNKJVROZ-UHFFFAOYSA-N
XLogP0.77
TPSA122.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one (CID 75446528) is 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one is COCc1nn(Cc2nc(N)c3c(C)c(C)oc3n2)c(=O)o1.
What is the InChIKey of 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is XLMPJMMNKJVROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c1-6-7(2)21-12-10(6)11(14)15-8(16-12)4-18-13(19)22-9(17-18)5-20-3/h4-5H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one?
3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 305.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75446528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).