N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine

C12H11N5O2 — CID 4901004

IUPACN-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1cc(C)nc(Nc2noc(-c3ccco3)n2)n1
InChIInChI=1S/C12H11N5O2/c1-7-6-8(2)14-11(13-7)16-12-15-10(19-17-12)9-4-3-5-18-9/h3-6H,1-2H3,(H,13,14,16,17)
InChIKeyOOEVNOWZQSINAH-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.48
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine

N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 4901004) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine
PubChem CID4901004
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1cc(C)nc(Nc2noc(-c3ccco3)n2)n1
InChIInChI=1S/C12H11N5O2/c1-7-6-8(2)14-11(13-7)16-12-15-10(19-17-12)9-4-3-5-18-9/h3-6H,1-2H3,(H,13,14,16,17)
InChIKeyOOEVNOWZQSINAH-UHFFFAOYSA-N
XLogP2.48
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine (CID 4901004) is N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine is Cc1cc(C)nc(Nc2noc(-c3ccco3)n2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is OOEVNOWZQSINAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-7-6-8(2)14-11(13-7)16-12-15-10(19-17-12)9-4-3-5-18-9/h3-6H,1-2H3,(H,13,14,16,17).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine?
N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 257.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 4901004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).