4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine

C16H25N5O2 — CID 535413

IUPAC4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N5O2/c1-2-8-17-14-18-15(21-9-11-22-12-10-21)20-16(19-14)23-13-6-4-3-5-7-13/h2,13H,1,3-12H2,(H,17,18,19,20)
InChIKeyTVCCHPAAJQZOBU-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.02
Rot. Bonds6

About 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine

4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 535413) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID535413
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OC2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N5O2/c1-2-8-17-14-18-15(21-9-11-22-12-10-21)20-16(19-14)23-13-6-4-3-5-7-13/h2,13H,1,3-12H2,(H,17,18,19,20)
InChIKeyTVCCHPAAJQZOBU-UHFFFAOYSA-N
XLogP2.02
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 535413) is 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(OC2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is TVCCHPAAJQZOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-8-17-14-18-15(21-9-11-22-12-10-21)20-16(19-14)23-13-6-4-3-5-7-13/h2,13H,1,3-12H2,(H,17,18,19,20).
What are the key properties of 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-6-morpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 535413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).