4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine

C11H18N4O — CID 65333691

IUPAC4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(C2CCCOC2)n1
InChIInChI=1S/C11H18N4O/c1-7(2)9-13-10(15-11(12)14-9)8-4-3-5-16-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyUREWFHVONDBEBG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.47
Rot. Bonds2

About 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 65333691) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID65333691
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(C2CCCOC2)n1
InChIInChI=1S/C11H18N4O/c1-7(2)9-13-10(15-11(12)14-9)8-4-3-5-16-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyUREWFHVONDBEBG-UHFFFAOYSA-N
XLogP1.47
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 65333691) is 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(C2CCCOC2)n1.
What is the InChIKey of 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is UREWFHVONDBEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)9-13-10(15-11(12)14-9)8-4-3-5-16-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65333691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).