2,8,9-trimethyl-N-phenylpurin-6-amine

C14H15N5 — CID 13439238

IUPAC2,8,9-trimethyl-N-phenylpurin-6-amine
SMILESCc1nc(Nc2ccccc2)c2nc(C)n(C)c2n1
InChIInChI=1S/C14H15N5/c1-9-15-13(18-11-7-5-4-6-8-11)12-14(16-9)19(3)10(2)17-12/h4-8H,1-3H3,(H,15,16,18)
InChIKeyLIGNAQIDAAJGPQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds2

About 2,8,9-trimethyl-N-phenylpurin-6-amine

2,8,9-trimethyl-N-phenylpurin-6-amine (PubChem CID 13439238) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,8,9-trimethyl-N-phenylpurin-6-amine.

Molecular Properties

Compound Name2,8,9-trimethyl-N-phenylpurin-6-amine
PubChem CID13439238
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2,8,9-trimethyl-N-phenylpurin-6-amine
SMILESCc1nc(Nc2ccccc2)c2nc(C)n(C)c2n1
InChIInChI=1S/C14H15N5/c1-9-15-13(18-11-7-5-4-6-8-11)12-14(16-9)19(3)10(2)17-12/h4-8H,1-3H3,(H,15,16,18)
InChIKeyLIGNAQIDAAJGPQ-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8,9-trimethyl-N-phenylpurin-6-amine?
The IUPAC name of 2,8,9-trimethyl-N-phenylpurin-6-amine (CID 13439238) is 2,8,9-trimethyl-N-phenylpurin-6-amine.
What is the SMILES notation for 2,8,9-trimethyl-N-phenylpurin-6-amine?
The canonical SMILES for 2,8,9-trimethyl-N-phenylpurin-6-amine is Cc1nc(Nc2ccccc2)c2nc(C)n(C)c2n1.
What is the InChIKey of 2,8,9-trimethyl-N-phenylpurin-6-amine?
The InChIKey is LIGNAQIDAAJGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-15-13(18-11-7-5-4-6-8-11)12-14(16-9)19(3)10(2)17-12/h4-8H,1-3H3,(H,15,16,18).
What are the key properties of 2,8,9-trimethyl-N-phenylpurin-6-amine?
2,8,9-trimethyl-N-phenylpurin-6-amine has a molecular weight of 253.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,9-trimethyl-N-phenylpurin-6-amine is sourced from PubChem (CID 13439238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).