2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine

C8H16N6O2 — CID 19595873

IUPAC2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCC(C)OCNc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-5(3-15-2)16-4-11-8-13-6(9)12-7(10)14-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14)
InChIKeyXOVDUJAWOCCOOT-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.54
Rot. Bonds6

About 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19595873) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19595873
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCC(C)OCNc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-5(3-15-2)16-4-11-8-13-6(9)12-7(10)14-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14)
InChIKeyXOVDUJAWOCCOOT-UHFFFAOYSA-N
XLogP-0.54
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 19595873) is 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine is COCC(C)OCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XOVDUJAWOCCOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-5(3-15-2)16-4-11-8-13-6(9)12-7(10)14-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14).
What are the key properties of 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 228.26 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19595873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).