[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate

C15H16N6O2 — CID 143605606

IUPAC[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate
SMILESCN(C)c1nc(OC(=O)Nc2ccccc2)c2ncn(C)c2n1
InChIInChI=1S/C15H16N6O2/c1-20(2)14-18-12-11(16-9-21(12)3)13(19-14)23-15(22)17-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,22)
InChIKeyDXNZDQVFYPIPHT-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.04
Rot. Bonds3

About [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate

[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate (PubChem CID 143605606) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate
PubChem CID143605606
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate
SMILESCN(C)c1nc(OC(=O)Nc2ccccc2)c2ncn(C)c2n1
InChIInChI=1S/C15H16N6O2/c1-20(2)14-18-12-11(16-9-21(12)3)13(19-14)23-15(22)17-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,22)
InChIKeyDXNZDQVFYPIPHT-UHFFFAOYSA-N
XLogP2.04
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate?
The IUPAC name of [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate (CID 143605606) is [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate.
What is the SMILES notation for [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate?
The canonical SMILES for [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate is CN(C)c1nc(OC(=O)Nc2ccccc2)c2ncn(C)c2n1.
What is the InChIKey of [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate?
The InChIKey is DXNZDQVFYPIPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-20(2)14-18-12-11(16-9-21(12)3)13(19-14)23-15(22)17-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,22).
What are the key properties of [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate?
[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate has a molecular weight of 312.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate is sourced from PubChem (CID 143605606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).