ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine

C17H24N6 — CID 90916255

IUPACethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine
SMILESCC.CN(C)c1nc(N(C)c2ccccc2)c2ncn(C)c2n1
InChIInChI=1S/C15H18N6.C2H6/c1-19(2)15-17-13-12(16-10-20(13)3)14(18-15)21(4)11-8-6-5-7-9-11;1-2/h5-10H,1-4H3;1-2H3
InChIKeyNIMSGOCZNRSUDG-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.22
Rot. Bonds3

About ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine

ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine (PubChem CID 90916255) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine.

Molecular Properties

Compound Nameethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine
PubChem CID90916255
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Nameethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine
SMILESCC.CN(C)c1nc(N(C)c2ccccc2)c2ncn(C)c2n1
InChIInChI=1S/C15H18N6.C2H6/c1-19(2)15-17-13-12(16-10-20(13)3)14(18-15)21(4)11-8-6-5-7-9-11;1-2/h5-10H,1-4H3;1-2H3
InChIKeyNIMSGOCZNRSUDG-UHFFFAOYSA-N
XLogP3.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine?
The IUPAC name of ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine (CID 90916255) is ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine.
What is the SMILES notation for ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine?
The canonical SMILES for ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine is CC.CN(C)c1nc(N(C)c2ccccc2)c2ncn(C)c2n1.
What is the InChIKey of ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine?
The InChIKey is NIMSGOCZNRSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6.C2H6/c1-19(2)15-17-13-12(16-10-20(13)3)14(18-15)21(4)11-8-6-5-7-9-11;1-2/h5-10H,1-4H3;1-2H3.
What are the key properties of ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine?
ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine is sourced from PubChem (CID 90916255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).