6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine

C9H15N5O — CID 175549083

IUPAC6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC2CCOCC2)n1
InChIInChI=1S/C9H15N5O/c10-8-12-7(13-9(11)14-8)5-6-1-3-15-4-2-6/h6H,1-5H2,(H4,10,11,12,13,14)
InChIKeyXWNDYQPKMAPVLF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.01
Rot. Bonds2

About 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine

6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 175549083) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID175549083
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC2CCOCC2)n1
InChIInChI=1S/C9H15N5O/c10-8-12-7(13-9(11)14-8)5-6-1-3-15-4-2-6/h6H,1-5H2,(H4,10,11,12,13,14)
InChIKeyXWNDYQPKMAPVLF-UHFFFAOYSA-N
XLogP0.01
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 175549083) is 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CC2CCOCC2)n1.
What is the InChIKey of 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XWNDYQPKMAPVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-8-12-7(13-9(11)14-8)5-6-1-3-15-4-2-6/h6H,1-5H2,(H4,10,11,12,13,14).
What are the key properties of 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 209.25 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175549083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).