1-methyl-2,7-dihydropurine

C6H8N4 — CID 174619335

IUPAC1-methyl-2,7-dihydropurine
SMILESCN1C=c2[nH]cnc2=NC1
InChIInChI=1S/C6H8N4/c1-10-2-5-6(9-4-10)8-3-7-5/h2-3H,4H2,1H3,(H,7,8,9)
InChIKeyGLONQJYCJWZQKX-UHFFFAOYSA-N
MW136.16 g/mol
LogP-1.33
Rot. Bonds

About 1-methyl-2,7-dihydropurine

1-methyl-2,7-dihydropurine (PubChem CID 174619335) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 1-methyl-2,7-dihydropurine.

Molecular Properties

Compound Name1-methyl-2,7-dihydropurine
PubChem CID174619335
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name1-methyl-2,7-dihydropurine
SMILESCN1C=c2[nH]cnc2=NC1
InChIInChI=1S/C6H8N4/c1-10-2-5-6(9-4-10)8-3-7-5/h2-3H,4H2,1H3,(H,7,8,9)
InChIKeyGLONQJYCJWZQKX-UHFFFAOYSA-N
XLogP-1.33
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,7-dihydropurine?
The IUPAC name of 1-methyl-2,7-dihydropurine (CID 174619335) is 1-methyl-2,7-dihydropurine.
What is the SMILES notation for 1-methyl-2,7-dihydropurine?
The canonical SMILES for 1-methyl-2,7-dihydropurine is CN1C=c2[nH]cnc2=NC1.
What is the InChIKey of 1-methyl-2,7-dihydropurine?
The InChIKey is GLONQJYCJWZQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-10-2-5-6(9-4-10)8-3-7-5/h2-3H,4H2,1H3,(H,7,8,9).
What are the key properties of 1-methyl-2,7-dihydropurine?
1-methyl-2,7-dihydropurine has a molecular weight of 136.16 g/mol, XLogP of -1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,7-dihydropurine is sourced from PubChem (CID 174619335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).