5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine

C11H16N6O2 — CID 72932069

IUPAC5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCCOc1nonc1C
InChIInChI=1S/C11H16N6O2/c1-3-8-6-14-11(12)15-9(8)13-4-5-18-10-7(2)16-19-17-10/h6H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyYFSYWHQRSGFKPC-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.80
Rot. Bonds6

About 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine

5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine (PubChem CID 72932069) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine
PubChem CID72932069
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine
SMILESCCc1cnc(N)nc1NCCOc1nonc1C
InChIInChI=1S/C11H16N6O2/c1-3-8-6-14-11(12)15-9(8)13-4-5-18-10-7(2)16-19-17-10/h6H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyYFSYWHQRSGFKPC-UHFFFAOYSA-N
XLogP0.80
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine (CID 72932069) is 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine is CCc1cnc(N)nc1NCCOc1nonc1C.
What is the InChIKey of 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine?
The InChIKey is YFSYWHQRSGFKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-8-6-14-11(12)15-9(8)13-4-5-18-10-7(2)16-19-17-10/h6H,3-5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine?
5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine has a molecular weight of 264.29 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72932069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).