N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

C10H16N4O2 — CID 80868204

IUPACN-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(OC(C)C)n1
InChIInChI=1S/C10H16N4O2/c1-5-6-15-9-12-8(11-4)13-10(14-9)16-7(2)3/h5,7H,1,6H2,2-4H3,(H,11,12,13,14)
InChIKeyRTHFKCDYTMPAAQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.27
Rot. Bonds6

About N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 80868204) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID80868204
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(OC(C)C)n1
InChIInChI=1S/C10H16N4O2/c1-5-6-15-9-12-8(11-4)13-10(14-9)16-7(2)3/h5,7H,1,6H2,2-4H3,(H,11,12,13,14)
InChIKeyRTHFKCDYTMPAAQ-UHFFFAOYSA-N
XLogP1.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 80868204) is N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(NC)nc(OC(C)C)n1.
What is the InChIKey of N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is RTHFKCDYTMPAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-5-6-15-9-12-8(11-4)13-10(14-9)16-7(2)3/h5,7H,1,6H2,2-4H3,(H,11,12,13,14).
What are the key properties of N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yloxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).