N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide

C12H16N6O2 — CID 72881712

IUPACN-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNc2nc(C)nc(C)c2C)n1
InChIInChI=1S/C12H16N6O2/c1-6-7(2)15-8(3)16-10(6)14-5-9-17-11(18-20-9)12(19)13-4/h5H2,1-4H3,(H,13,19)(H,14,15,16)
InChIKeyJRVGDNPUSQJNNJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.76
Rot. Bonds4

About N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 72881712) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID72881712
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNc2nc(C)nc(C)c2C)n1
InChIInChI=1S/C12H16N6O2/c1-6-7(2)15-8(3)16-10(6)14-5-9-17-11(18-20-9)12(19)13-4/h5H2,1-4H3,(H,13,19)(H,14,15,16)
InChIKeyJRVGDNPUSQJNNJ-UHFFFAOYSA-N
XLogP0.76
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 72881712) is N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNc2nc(C)nc(C)c2C)n1.
What is the InChIKey of N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JRVGDNPUSQJNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-6-7(2)15-8(3)16-10(6)14-5-9-17-11(18-20-9)12(19)13-4/h5H2,1-4H3,(H,13,19)(H,14,15,16).
What are the key properties of N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 72881712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).