6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine

C13H25N5 — CID 112746179

IUPAC6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCC(CC)Nc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H25N5/c1-6-8-9(7-2)15-12-17-10(13(3,4)5)16-11(14)18-12/h9H,6-8H2,1-5H3,(H3,14,15,16,17,18)
InChIKeyWGNRVLLWVPLWRJ-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.74
Rot. Bonds5

About 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine

6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 112746179) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID112746179
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCC(CC)Nc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H25N5/c1-6-8-9(7-2)15-12-17-10(13(3,4)5)16-11(14)18-12/h9H,6-8H2,1-5H3,(H3,14,15,16,17,18)
InChIKeyWGNRVLLWVPLWRJ-UHFFFAOYSA-N
XLogP2.74
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine (CID 112746179) is 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine is CCCC(CC)Nc1nc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WGNRVLLWVPLWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-6-8-9(7-2)15-12-17-10(13(3,4)5)16-11(14)18-12/h9H,6-8H2,1-5H3,(H3,14,15,16,17,18).
What are the key properties of 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine?
6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).