6-ethoxy-7-methylpurin-2-amine

C8H11N5O — CID 71574002

IUPAC6-ethoxy-7-methylpurin-2-amine
SMILESCCOc1nc(N)nc2ncn(C)c12
InChIInChI=1S/C8H11N5O/c1-3-14-7-5-6(10-4-13(5)2)11-8(9)12-7/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKeyMJQQJZULGHREOZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.34
Rot. Bonds2

About 6-ethoxy-7-methylpurin-2-amine

6-ethoxy-7-methylpurin-2-amine (PubChem CID 71574002) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-ethoxy-7-methylpurin-2-amine.

Molecular Properties

Compound Name6-ethoxy-7-methylpurin-2-amine
PubChem CID71574002
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name6-ethoxy-7-methylpurin-2-amine
SMILESCCOc1nc(N)nc2ncn(C)c12
InChIInChI=1S/C8H11N5O/c1-3-14-7-5-6(10-4-13(5)2)11-8(9)12-7/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKeyMJQQJZULGHREOZ-UHFFFAOYSA-N
XLogP0.34
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7-methylpurin-2-amine?
The IUPAC name of 6-ethoxy-7-methylpurin-2-amine (CID 71574002) is 6-ethoxy-7-methylpurin-2-amine.
What is the SMILES notation for 6-ethoxy-7-methylpurin-2-amine?
The canonical SMILES for 6-ethoxy-7-methylpurin-2-amine is CCOc1nc(N)nc2ncn(C)c12.
What is the InChIKey of 6-ethoxy-7-methylpurin-2-amine?
The InChIKey is MJQQJZULGHREOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-3-14-7-5-6(10-4-13(5)2)11-8(9)12-7/h4H,3H2,1-2H3,(H2,9,11,12).
What are the key properties of 6-ethoxy-7-methylpurin-2-amine?
6-ethoxy-7-methylpurin-2-amine has a molecular weight of 193.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7-methylpurin-2-amine is sourced from PubChem (CID 71574002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).