2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

C13H24N6O — CID 105420965

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H24N6O/c1-5-20-12-16-10(14)15-11(17-12)19(4)9-13(18(2)3)7-6-8-13/h5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyAPBQPGIXRWFWMH-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.77
Rot. Bonds6

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 105420965) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID105420965
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H24N6O/c1-5-20-12-16-10(14)15-11(17-12)19(4)9-13(18(2)3)7-6-8-13/h5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyAPBQPGIXRWFWMH-UHFFFAOYSA-N
XLogP0.77
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 105420965) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is APBQPGIXRWFWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-5-20-12-16-10(14)15-11(17-12)19(4)9-13(18(2)3)7-6-8-13/h5-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 105420965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).