4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine

C15H22N6O — CID 72854349

IUPAC4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCCc2noc(C3CCC3)n2)c1C
InChIInChI=1S/C15H22N6O/c1-3-11-9(2)13(20-15(16)18-11)17-8-7-12-19-14(22-21-12)10-5-4-6-10/h10H,3-8H2,1-2H3,(H3,16,17,18,20)
InChIKeyPWGTXWRGRYEKLA-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.23
Rot. Bonds6

About 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine

4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 72854349) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID72854349
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCCc2noc(C3CCC3)n2)c1C
InChIInChI=1S/C15H22N6O/c1-3-11-9(2)13(20-15(16)18-11)17-8-7-12-19-14(22-21-12)10-5-4-6-10/h10H,3-8H2,1-2H3,(H3,16,17,18,20)
InChIKeyPWGTXWRGRYEKLA-UHFFFAOYSA-N
XLogP2.23
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine (CID 72854349) is 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine is CCc1nc(N)nc(NCCc2noc(C3CCC3)n2)c1C.
What is the InChIKey of 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is PWGTXWRGRYEKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-11-9(2)13(20-15(16)18-11)17-8-7-12-19-14(22-21-12)10-5-4-6-10/h10H,3-8H2,1-2H3,(H3,16,17,18,20).
What are the key properties of 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72854349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).