2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

C15H29N7 — CID 3348110

IUPAC2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCNCC2)n1
InChIInChI=1S/C15H29N7/c1-14(2,3)20-11-17-12(21-15(4,5)6)19-13(18-11)22-9-7-16-8-10-22/h16H,7-10H2,1-6H3,(H2,17,18,19,20,21)
InChIKeyHNNJNXCWSCRAEV-UHFFFAOYSA-N
MW307.45 g/mol
LogP1.70
Rot. Bonds3

About 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 3348110) has the molecular formula C15H29N7 and a molecular weight of 307.45 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID3348110
Molecular FormulaC15H29N7
Molecular Weight307.45 g/mol
Exact Mass307.25
IUPAC Name2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCNCC2)n1
InChIInChI=1S/C15H29N7/c1-14(2,3)20-11-17-12(21-15(4,5)6)19-13(18-11)22-9-7-16-8-10-22/h16H,7-10H2,1-6H3,(H2,17,18,19,20,21)
InChIKeyHNNJNXCWSCRAEV-UHFFFAOYSA-N
XLogP1.70
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine (CID 3348110) is 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCNCC2)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HNNJNXCWSCRAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N7/c1-14(2,3)20-11-17-12(21-15(4,5)6)19-13(18-11)22-9-7-16-8-10-22/h16H,7-10H2,1-6H3,(H2,17,18,19,20,21).
What are the key properties of 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 307.45 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3348110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).