6-methyl-4,7-dihydro-3H-purine

C6H8N4 — CID 176524374

IUPAC6-methyl-4,7-dihydro-3H-purine
SMILESCC1=C2NC=NC2NC=N1
InChIInChI=1S/C6H8N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3,6H,1H3,(H,7,9)(H,8,10)
InChIKeyMVAGXKRLARIGCL-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.19
Rot. Bonds

About 6-methyl-4,7-dihydro-3H-purine

6-methyl-4,7-dihydro-3H-purine (PubChem CID 176524374) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 6-methyl-4,7-dihydro-3H-purine.

Molecular Properties

Compound Name6-methyl-4,7-dihydro-3H-purine
PubChem CID176524374
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name6-methyl-4,7-dihydro-3H-purine
SMILESCC1=C2NC=NC2NC=N1
InChIInChI=1S/C6H8N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3,6H,1H3,(H,7,9)(H,8,10)
InChIKeyMVAGXKRLARIGCL-UHFFFAOYSA-N
XLogP-0.19
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,7-dihydro-3H-purine?
The IUPAC name of 6-methyl-4,7-dihydro-3H-purine (CID 176524374) is 6-methyl-4,7-dihydro-3H-purine.
What is the SMILES notation for 6-methyl-4,7-dihydro-3H-purine?
The canonical SMILES for 6-methyl-4,7-dihydro-3H-purine is CC1=C2NC=NC2NC=N1.
What is the InChIKey of 6-methyl-4,7-dihydro-3H-purine?
The InChIKey is MVAGXKRLARIGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3,6H,1H3,(H,7,9)(H,8,10).
What are the key properties of 6-methyl-4,7-dihydro-3H-purine?
6-methyl-4,7-dihydro-3H-purine has a molecular weight of 136.16 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,7-dihydro-3H-purine is sourced from PubChem (CID 176524374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).