4,7-dihydro-1H-purine

C5H6N4 — CID 55286487

IUPAC4,7-dihydro-1H-purine
SMILESC1=NC2N=CNC2=CN1
InChIInChI=1S/C5H6N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3,5H,(H,6,8)(H,7,9)
InChIKeyGHHRHRBGHRNIOO-UHFFFAOYSA-N
MW122.13 g/mol
LogP-0.58
Rot. Bonds

About 4,7-dihydro-1H-purine

4,7-dihydro-1H-purine (PubChem CID 55286487) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 4,7-dihydro-1H-purine.

Molecular Properties

Compound Name4,7-dihydro-1H-purine
PubChem CID55286487
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name4,7-dihydro-1H-purine
SMILESC1=NC2N=CNC2=CN1
InChIInChI=1S/C5H6N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3,5H,(H,6,8)(H,7,9)
InChIKeyGHHRHRBGHRNIOO-UHFFFAOYSA-N
XLogP-0.58
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-1H-purine?
The IUPAC name of 4,7-dihydro-1H-purine (CID 55286487) is 4,7-dihydro-1H-purine.
What is the SMILES notation for 4,7-dihydro-1H-purine?
The canonical SMILES for 4,7-dihydro-1H-purine is C1=NC2N=CNC2=CN1.
What is the InChIKey of 4,7-dihydro-1H-purine?
The InChIKey is GHHRHRBGHRNIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3,5H,(H,6,8)(H,7,9).
What are the key properties of 4,7-dihydro-1H-purine?
4,7-dihydro-1H-purine has a molecular weight of 122.13 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-1H-purine is sourced from PubChem (CID 55286487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).