4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine

C10H14N4O2 — CID 115658924

IUPAC4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
SMILESC#CCC(C)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H14N4O2/c1-5-6-7(2)11-8-12-9(15-3)14-10(13-8)16-4/h1,7H,6H2,2-4H3,(H,11,12,13,14)
InChIKeyDKBPLQVMENXYMV-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.71
Rot. Bonds5

About 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine

4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine (PubChem CID 115658924) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
PubChem CID115658924
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
SMILESC#CCC(C)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H14N4O2/c1-5-6-7(2)11-8-12-9(15-3)14-10(13-8)16-4/h1,7H,6H2,2-4H3,(H,11,12,13,14)
InChIKeyDKBPLQVMENXYMV-UHFFFAOYSA-N
XLogP0.71
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine (CID 115658924) is 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine is C#CCC(C)Nc1nc(OC)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine?
The InChIKey is DKBPLQVMENXYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-5-6-7(2)11-8-12-9(15-3)14-10(13-8)16-4/h1,7H,6H2,2-4H3,(H,11,12,13,14).
What are the key properties of 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine has a molecular weight of 222.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115658924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).