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

C13H13N5O2 — CID 50973647

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2noc(-c3ccco3)n2)n1
InChIInChI=1S/C13H13N5O2/c1-8-6-9(2)16-13(15-8)14-7-11-17-12(20-18-11)10-4-3-5-19-10/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyFTHZBRQLZADQAD-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.35
Rot. Bonds4

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

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 50973647) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID50973647
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2noc(-c3ccco3)n2)n1
InChIInChI=1S/C13H13N5O2/c1-8-6-9(2)16-13(15-8)14-7-11-17-12(20-18-11)10-4-3-5-19-10/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyFTHZBRQLZADQAD-UHFFFAOYSA-N
XLogP2.35
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-yl)-1,2,4-oxadiazol-3-amine
CID 4901004
1-(3,4-dimethylphenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
CID 138006353
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 95191455
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine
CID 56891299
(1S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1-phenylethanol
CID 95139630
5-bromo-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43305771
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
4-(2,5-dimethylthiophen-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 136513569
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
2-ethoxy-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755930

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine (CID 50973647) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCc2noc(-c3ccco3)n2)n1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is FTHZBRQLZADQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-8-6-9(2)16-13(15-8)14-7-11-17-12(20-18-11)10-4-3-5-19-10/h3-6H,7H2,1-2H3,(H,14,15,16).
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 271.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 50973647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).