4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine

C12H20N4O — CID 63868624

IUPAC4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-2-7-17-8-10-14-11(16-12(13)15-10)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyWIHURKGWCKTYEX-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.04
Rot. Bonds5

About 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine

4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 63868624) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
PubChem CID63868624
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-2-7-17-8-10-14-11(16-12(13)15-10)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyWIHURKGWCKTYEX-UHFFFAOYSA-N
XLogP2.04
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine (CID 63868624) is 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine is CCCOCc1nc(N)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is WIHURKGWCKTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-7-17-8-10-14-11(16-12(13)15-10)9-5-3-4-6-9/h9H,2-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).