1,2,3-trimethyl-7,8-dihydro-2H-purine

C8H14N4 — CID 178067311

IUPAC1,2,3-trimethyl-7,8-dihydro-2H-purine
SMILESCC1N(C)C=C2NCN=C2N1C
InChIInChI=1S/C8H14N4/c1-6-11(2)4-7-8(12(6)3)10-5-9-7/h4,6,9H,5H2,1-3H3
InChIKeyUIAQLTCFIKSKBE-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.01
Rot. Bonds

About 1,2,3-trimethyl-7,8-dihydro-2H-purine

1,2,3-trimethyl-7,8-dihydro-2H-purine (PubChem CID 178067311) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1,2,3-trimethyl-7,8-dihydro-2H-purine.

Molecular Properties

Compound Name1,2,3-trimethyl-7,8-dihydro-2H-purine
PubChem CID178067311
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1,2,3-trimethyl-7,8-dihydro-2H-purine
SMILESCC1N(C)C=C2NCN=C2N1C
InChIInChI=1S/C8H14N4/c1-6-11(2)4-7-8(12(6)3)10-5-9-7/h4,6,9H,5H2,1-3H3
InChIKeyUIAQLTCFIKSKBE-UHFFFAOYSA-N
XLogP0.01
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-7,8-dihydro-2H-purine?
The IUPAC name of 1,2,3-trimethyl-7,8-dihydro-2H-purine (CID 178067311) is 1,2,3-trimethyl-7,8-dihydro-2H-purine.
What is the SMILES notation for 1,2,3-trimethyl-7,8-dihydro-2H-purine?
The canonical SMILES for 1,2,3-trimethyl-7,8-dihydro-2H-purine is CC1N(C)C=C2NCN=C2N1C.
What is the InChIKey of 1,2,3-trimethyl-7,8-dihydro-2H-purine?
The InChIKey is UIAQLTCFIKSKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6-11(2)4-7-8(12(6)3)10-5-9-7/h4,6,9H,5H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-7,8-dihydro-2H-purine?
1,2,3-trimethyl-7,8-dihydro-2H-purine has a molecular weight of 166.23 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-7,8-dihydro-2H-purine is sourced from PubChem (CID 178067311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).