9-ethyl-N-methylpurin-6-amine

C8H11N5 — CID 23389288

IUPAC9-ethyl-N-methylpurin-6-amine
SMILESCCn1cnc2c(NC)ncnc21
InChIInChI=1S/C8H11N5/c1-3-13-5-12-6-7(9-2)10-4-11-8(6)13/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKeyKMWZZAYMCRKEEY-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.89
Rot. Bonds2

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

9-ethyl-N-methylpurin-6-amine (PubChem CID 23389288) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 9-ethyl-N-methylpurin-6-amine.

Molecular Properties

Compound Name9-ethyl-N-methylpurin-6-amine
PubChem CID23389288
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name9-ethyl-N-methylpurin-6-amine
SMILESCCn1cnc2c(NC)ncnc21
InChIInChI=1S/C8H11N5/c1-3-13-5-12-6-7(9-2)10-4-11-8(6)13/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKeyKMWZZAYMCRKEEY-UHFFFAOYSA-N
XLogP0.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-methylpurin-6-amine?
The IUPAC name of 9-ethyl-N-methylpurin-6-amine (CID 23389288) is 9-ethyl-N-methylpurin-6-amine.
What is the SMILES notation for 9-ethyl-N-methylpurin-6-amine?
The canonical SMILES for 9-ethyl-N-methylpurin-6-amine is CCn1cnc2c(NC)ncnc21.
What is the InChIKey of 9-ethyl-N-methylpurin-6-amine?
The InChIKey is KMWZZAYMCRKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-13-5-12-6-7(9-2)10-4-11-8(6)13/h4-5H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 9-ethyl-N-methylpurin-6-amine?
9-ethyl-N-methylpurin-6-amine has a molecular weight of 177.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-methylpurin-6-amine is sourced from PubChem (CID 23389288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).