2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C12H22N6O — CID 80845884

IUPAC2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-17(2)11-14-10(13)15-12(16-11)18(3)8-9-4-6-19-7-5-9/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyULMGGZVXPWJUJZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.38
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80845884) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80845884
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N)nc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C12H22N6O/c1-17(2)11-14-10(13)15-12(16-11)18(3)8-9-4-6-19-7-5-9/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyULMGGZVXPWJUJZ-UHFFFAOYSA-N
XLogP0.38
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819926
4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine
CID 80845799
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80797993
2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80774808
2-[methyl(oxan-4-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107547492
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965
3-N-(cyclopropylmethyl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 66276657
2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327889
6-chloro-2-N-methyl-2-N-(oxan-4-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80845641
5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103363007

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 80845884) is 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N)nc(N(C)CC2CCOCC2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ULMGGZVXPWJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-17(2)11-14-10(13)15-12(16-11)18(3)8-9-4-6-19-7-5-9/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80845884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).