N-benzyl-9-ethyl-N-methylpurin-6-amine

C15H17N5 — CID 163348599

IUPACN-benzyl-9-ethyl-N-methylpurin-6-amine
SMILESCCn1cnc2c(N(C)Cc3ccccc3)ncnc21
InChIInChI=1S/C15H17N5/c1-3-20-11-18-13-14(16-10-17-15(13)20)19(2)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3
InChIKeyUYVLUDHODSOZME-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.48
Rot. Bonds4

About N-benzyl-9-ethyl-N-methylpurin-6-amine

N-benzyl-9-ethyl-N-methylpurin-6-amine (PubChem CID 163348599) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-benzyl-9-ethyl-N-methylpurin-6-amine.

Molecular Properties

Compound NameN-benzyl-9-ethyl-N-methylpurin-6-amine
PubChem CID163348599
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-benzyl-9-ethyl-N-methylpurin-6-amine
SMILESCCn1cnc2c(N(C)Cc3ccccc3)ncnc21
InChIInChI=1S/C15H17N5/c1-3-20-11-18-13-14(16-10-17-15(13)20)19(2)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3
InChIKeyUYVLUDHODSOZME-UHFFFAOYSA-N
XLogP2.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-ethyl-N-methylpurin-6-amine?
The IUPAC name of N-benzyl-9-ethyl-N-methylpurin-6-amine (CID 163348599) is N-benzyl-9-ethyl-N-methylpurin-6-amine.
What is the SMILES notation for N-benzyl-9-ethyl-N-methylpurin-6-amine?
The canonical SMILES for N-benzyl-9-ethyl-N-methylpurin-6-amine is CCn1cnc2c(N(C)Cc3ccccc3)ncnc21.
What is the InChIKey of N-benzyl-9-ethyl-N-methylpurin-6-amine?
The InChIKey is UYVLUDHODSOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-20-11-18-13-14(16-10-17-15(13)20)19(2)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of N-benzyl-9-ethyl-N-methylpurin-6-amine?
N-benzyl-9-ethyl-N-methylpurin-6-amine has a molecular weight of 267.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-ethyl-N-methylpurin-6-amine is sourced from PubChem (CID 163348599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).