2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine

C13H21N3O — CID 170117373

IUPAC2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(C2COC2)nc(C(C)(C)C)n1
InChIInChI=1S/C13H21N3O/c1-8(2)10-14-11(9-6-17-7-9)16-12(15-10)13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyAXGBEIGUFDMBOM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.41
Rot. Bonds2

About 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine

2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine (PubChem CID 170117373) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine
PubChem CID170117373
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(C2COC2)nc(C(C)(C)C)n1
InChIInChI=1S/C13H21N3O/c1-8(2)10-14-11(9-6-17-7-9)16-12(15-10)13(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyAXGBEIGUFDMBOM-UHFFFAOYSA-N
XLogP2.41
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine (CID 170117373) is 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine is CC(C)c1nc(C2COC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine?
The InChIKey is AXGBEIGUFDMBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)10-14-11(9-6-17-7-9)16-12(15-10)13(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine?
2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine has a molecular weight of 235.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(oxetan-3-yl)-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 170117373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).