4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine

C12H20N4O — CID 63868348

IUPAC4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C12H20N4O/c1-12(2,3)10-14-9(15-11(13)16-10)7-8-5-4-6-17-8/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyBBOKPCQYUTVRCI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.47
Rot. Bonds2

About 4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63868348) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID63868348
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C12H20N4O/c1-12(2,3)10-14-9(15-11(13)16-10)7-8-5-4-6-17-8/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyBBOKPCQYUTVRCI-UHFFFAOYSA-N
XLogP1.47
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
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-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (CID 63868348) is 4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(CC2CCCO2)n1.
What is the InChIKey of 4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is BBOKPCQYUTVRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)10-14-9(15-11(13)16-10)7-8-5-4-6-17-8/h8H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 236.32 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-tert-butyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).