4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine

C13H18N6O — CID 72853398

IUPAC4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCc1noc(C2CCC2)n1
InChIInChI=1S/C13H18N6O/c1-2-8-6-16-13(14)18-11(8)15-7-10-17-12(20-19-10)9-4-3-5-9/h6,9H,2-5,7H2,1H3,(H3,14,15,16,18)
InChIKeyMWTBMXSFJNLXTR-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.88
Rot. Bonds5

About 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine

4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine (PubChem CID 72853398) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine
PubChem CID72853398
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCc1noc(C2CCC2)n1
InChIInChI=1S/C13H18N6O/c1-2-8-6-16-13(14)18-11(8)15-7-10-17-12(20-19-10)9-4-3-5-9/h6,9H,2-5,7H2,1H3,(H3,14,15,16,18)
InChIKeyMWTBMXSFJNLXTR-UHFFFAOYSA-N
XLogP1.88
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72914508
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
6-(3-aminocyclobutyl)-4-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 91760519
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 75436511
5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 72891962
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine
CID 72932069
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine (CID 72853398) is 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine is CCc1cnc(N)nc1NCc1noc(C2CCC2)n1.
What is the InChIKey of 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine?
The InChIKey is MWTBMXSFJNLXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-8-6-16-13(14)18-11(8)15-7-10-17-12(20-19-10)9-4-3-5-9/h6,9H,2-5,7H2,1H3,(H3,14,15,16,18).
What are the key properties of 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine?
4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-5-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 72853398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).