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

C11H15N7O2 — CID 72904924

IUPAC5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)c1cc(NCc2nc(C(N)=O)no2)nc(N)n1
InChIInChI=1S/C11H15N7O2/c1-5(2)6-3-7(16-11(13)15-6)14-4-8-17-10(9(12)19)18-20-8/h3,5H,4H2,1-2H3,(H2,12,19)(H3,13,14,15,16)
InChIKeyVHXNFYRGASTUJU-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.28
Rot. Bonds5

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

5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 72904924) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID72904924
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)c1cc(NCc2nc(C(N)=O)no2)nc(N)n1
InChIInChI=1S/C11H15N7O2/c1-5(2)6-3-7(16-11(13)15-6)14-4-8-17-10(9(12)19)18-20-8/h3,5H,4H2,1-2H3,(H2,12,19)(H3,13,14,15,16)
InChIKeyVHXNFYRGASTUJU-UHFFFAOYSA-N
XLogP0.28
TPSA145.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
6-ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50978397
N-[1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870318
6-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrimidin-4-amine
CID 72869158
5-[1-[4-(4-Ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75455387
6-isopropyl-N~4~-({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyrimidine-2,4-diamine
CID 72881443
6-Isopropyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-YL]methyl}pyrimidin-4-amine
CID 72887749
N~4~-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927896
6-(trans-3-aminocyclobutyl)-2-cyclopropyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-pyrimidinamine dihydrochloride
CID 91785646
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
CID 97187990
6-ethyl-N,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 132378327
N-Methyl-5-({[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)-1,2,4-oxadiazole-3-carboxamide
CID 56875969

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 72904924) is 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)c1cc(NCc2nc(C(N)=O)no2)nc(N)n1.
What is the InChIKey of 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VHXNFYRGASTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-5(2)6-3-7(16-11(13)15-6)14-4-8-17-10(9(12)19)18-20-8/h3,5H,4H2,1-2H3,(H2,12,19)(H3,13,14,15,16).
What are the key properties of 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 72904924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).