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

C14H26N6 — CID 974634

IUPAC2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C14H26N6/c1-5-15-11-16-12(19-14(2,3)4)18-13(17-11)20-9-7-6-8-10-20/h5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyVLTIAUCHIASBMZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.50
Rot. Bonds4

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

2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 974634) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID974634
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)(C)C)nc(N2CCCCC2)n1
InChIInChI=1S/C14H26N6/c1-5-15-11-16-12(19-14(2,3)4)18-13(17-11)20-9-7-6-8-10-20/h5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyVLTIAUCHIASBMZ-UHFFFAOYSA-N
XLogP2.50
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 974634) is 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)(C)C)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is VLTIAUCHIASBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-5-15-11-16-12(19-14(2,3)4)18-13(17-11)20-9-7-6-8-10-20/h5-10H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 974634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).