8-ethyl-N-methyl-7H-purin-6-amine

C8H11N5 — CID 126993799

IUPAC8-ethyl-N-methyl-7H-purin-6-amine
SMILESCCc1nc2ncnc(NC)c2[nH]1
InChIInChI=1S/C8H11N5/c1-3-5-12-6-7(9-2)10-4-11-8(6)13-5/h4H,3H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyCRJURAHYYDIKRE-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.96
Rot. Bonds2

About 8-ethyl-N-methyl-7H-purin-6-amine

8-ethyl-N-methyl-7H-purin-6-amine (PubChem CID 126993799) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 8-ethyl-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name8-ethyl-N-methyl-7H-purin-6-amine
PubChem CID126993799
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name8-ethyl-N-methyl-7H-purin-6-amine
SMILESCCc1nc2ncnc(NC)c2[nH]1
InChIInChI=1S/C8H11N5/c1-3-5-12-6-7(9-2)10-4-11-8(6)13-5/h4H,3H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyCRJURAHYYDIKRE-UHFFFAOYSA-N
XLogP0.96
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-methyl-7H-purin-6-amine?
The IUPAC name of 8-ethyl-N-methyl-7H-purin-6-amine (CID 126993799) is 8-ethyl-N-methyl-7H-purin-6-amine.
What is the SMILES notation for 8-ethyl-N-methyl-7H-purin-6-amine?
The canonical SMILES for 8-ethyl-N-methyl-7H-purin-6-amine is CCc1nc2ncnc(NC)c2[nH]1.
What is the InChIKey of 8-ethyl-N-methyl-7H-purin-6-amine?
The InChIKey is CRJURAHYYDIKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-5-12-6-7(9-2)10-4-11-8(6)13-5/h4H,3H2,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 8-ethyl-N-methyl-7H-purin-6-amine?
8-ethyl-N-methyl-7H-purin-6-amine has a molecular weight of 177.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 126993799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).