2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine

C16H27N7 — CID 879044

IUPAC2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)n(-c2nc(NC(C)(C)C)nc(NC(C)(C)C)n2)n1
InChIInChI=1S/C16H27N7/c1-10-9-11(2)23(22-10)14-18-12(20-15(3,4)5)17-13(19-14)21-16(6,7)8/h9H,1-8H3,(H2,17,18,19,20,21)
InChIKeyGXCSDPOIUDJMIL-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.09
Rot. Bonds3

About 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 879044) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID879044
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC Name2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)n(-c2nc(NC(C)(C)C)nc(NC(C)(C)C)n2)n1
InChIInChI=1S/C16H27N7/c1-10-9-11(2)23(22-10)14-18-12(20-15(3,4)5)17-13(19-14)21-16(6,7)8/h9H,1-8H3,(H2,17,18,19,20,21)
InChIKeyGXCSDPOIUDJMIL-UHFFFAOYSA-N
XLogP3.09
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 879044) is 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine is Cc1cc(C)n(-c2nc(NC(C)(C)C)nc(NC(C)(C)C)n2)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GXCSDPOIUDJMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7/c1-10-9-11(2)23(22-10)14-18-12(20-15(3,4)5)17-13(19-14)21-16(6,7)8/h9H,1-8H3,(H2,17,18,19,20,21).
What are the key properties of 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 879044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).