N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine

C10H10N4O2 — CID 4160528

IUPACN-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
SMILESC#CCOc1nc(NC)nc(OCC#C)n1
InChIInChI=1S/C10H10N4O2/c1-4-6-15-9-12-8(11-3)13-10(14-9)16-7-5-2/h1-2H,6-7H2,3H3,(H,11,12,13,14)
InChIKeyVZXVYHRIQMCUHM-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.06
Rot. Bonds5

About N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine

N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine (PubChem CID 4160528) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
PubChem CID4160528
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC NameN-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
SMILESC#CCOc1nc(NC)nc(OCC#C)n1
InChIInChI=1S/C10H10N4O2/c1-4-6-15-9-12-8(11-3)13-10(14-9)16-7-5-2/h1-2H,6-7H2,3H3,(H,11,12,13,14)
InChIKeyVZXVYHRIQMCUHM-UHFFFAOYSA-N
XLogP-0.06
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
s-Triazine-1,3,5-triamine, N,N',N''-tris(ethoxymethyl)-
CID 3057112
N~2~,N~4~,N~6~-Tris(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20822524
Aminopropargyl cyanurate
CID 129778186
N-(prop-2-yn-1-yl)-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazin-2-amine
CID 169552871
4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859177
N-methyl-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859266
4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80867794
4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80868796
N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80868798
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80871130
4-methoxy-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazin-2-amine
CID 80877237

Frequently Asked Questions

What is the IUPAC name of N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine (CID 4160528) is N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine is C#CCOc1nc(NC)nc(OCC#C)n1.
What is the InChIKey of N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The InChIKey is VZXVYHRIQMCUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-4-6-15-9-12-8(11-3)13-10(14-9)16-7-5-2/h1-2H,6-7H2,3H3,(H,11,12,13,14).
What are the key properties of N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine has a molecular weight of 218.22 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 4160528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).