4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C12H22N6O — CID 80753907

IUPAC4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-3-4-5-17(2)11-14-10(13)15-12(16-11)18-6-8-19-9-7-18/h3-9H2,1-2H3,(H2,13,14,15,16)
InChIKeyDVKBMNYSEULRCP-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.53
Rot. Bonds5

About 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80753907) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID80753907
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(C)c1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-3-4-5-17(2)11-14-10(13)15-12(16-11)18-6-8-19-9-7-18/h3-9H2,1-2H3,(H2,13,14,15,16)
InChIKeyDVKBMNYSEULRCP-UHFFFAOYSA-N
XLogP0.53
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 80753907) is 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCCCN(C)c1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DVKBMNYSEULRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-3-4-5-17(2)11-14-10(13)15-12(16-11)18-6-8-19-9-7-18/h3-9H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80753907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).