2-ethyl-1-methyl-2,7-dihydropurine

C8H12N4 — CID 70179017

IUPAC2-ethyl-1-methyl-2,7-dihydropurine
SMILESCCC1N=c2nc[nH]c2=CN1C
InChIInChI=1S/C8H12N4/c1-3-7-11-8-6(4-12(7)2)9-5-10-8/h4-5,7H,3H2,1-2H3,(H,9,10,11)
InChIKeyYFWVRHDUJZBVNH-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.55
Rot. Bonds1

About 2-ethyl-1-methyl-2,7-dihydropurine

2-ethyl-1-methyl-2,7-dihydropurine (PubChem CID 70179017) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-ethyl-1-methyl-2,7-dihydropurine.

Molecular Properties

Compound Name2-ethyl-1-methyl-2,7-dihydropurine
PubChem CID70179017
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-ethyl-1-methyl-2,7-dihydropurine
SMILESCCC1N=c2nc[nH]c2=CN1C
InChIInChI=1S/C8H12N4/c1-3-7-11-8-6(4-12(7)2)9-5-10-8/h4-5,7H,3H2,1-2H3,(H,9,10,11)
InChIKeyYFWVRHDUJZBVNH-UHFFFAOYSA-N
XLogP-0.55
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-2,7-dihydropurine?
The IUPAC name of 2-ethyl-1-methyl-2,7-dihydropurine (CID 70179017) is 2-ethyl-1-methyl-2,7-dihydropurine.
What is the SMILES notation for 2-ethyl-1-methyl-2,7-dihydropurine?
The canonical SMILES for 2-ethyl-1-methyl-2,7-dihydropurine is CCC1N=c2nc[nH]c2=CN1C.
What is the InChIKey of 2-ethyl-1-methyl-2,7-dihydropurine?
The InChIKey is YFWVRHDUJZBVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-7-11-8-6(4-12(7)2)9-5-10-8/h4-5,7H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-ethyl-1-methyl-2,7-dihydropurine?
2-ethyl-1-methyl-2,7-dihydropurine has a molecular weight of 164.21 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-2,7-dihydropurine is sourced from PubChem (CID 70179017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).