6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine

C11H21N5O — CID 175375473

IUPAC6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(OC(C)(C)C(C)C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-6(2)11(4,5)17-7(3)8-14-9(12)16-10(13)15-8/h6-7H,1-5H3,(H4,12,13,14,15,16)
InChIKeyAMNFSBRINKVKNA-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.55
Rot. Bonds4

About 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine

6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 175375473) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID175375473
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(OC(C)(C)C(C)C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-6(2)11(4,5)17-7(3)8-14-9(12)16-10(13)15-8/h6-7H,1-5H3,(H4,12,13,14,15,16)
InChIKeyAMNFSBRINKVKNA-UHFFFAOYSA-N
XLogP1.55
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 175375473) is 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine is CC(OC(C)(C)C(C)C)c1nc(N)nc(N)n1.
What is the InChIKey of 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AMNFSBRINKVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-6(2)11(4,5)17-7(3)8-14-9(12)16-10(13)15-8/h6-7H,1-5H3,(H4,12,13,14,15,16).
What are the key properties of 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,3-dimethylbutan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175375473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).