6,7,8,9-tetrahydro-3H-purine

C5H8N4 — CID 57306527

IUPAC6,7,8,9-tetrahydro-3H-purine
SMILESC1=NCC2=C(N1)NCN2
InChIInChI=1S/C5H8N4/c1-4-5(8-2-6-1)9-3-7-4/h2,7,9H,1,3H2,(H,6,8)
InChIKeyOPQBVTWBGPGUCF-UHFFFAOYSA-N
MW124.15 g/mol
LogP-1.06
Rot. Bonds

About 6,7,8,9-tetrahydro-3H-purine

6,7,8,9-tetrahydro-3H-purine (PubChem CID 57306527) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-3H-purine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-3H-purine
PubChem CID57306527
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name6,7,8,9-tetrahydro-3H-purine
SMILESC1=NCC2=C(N1)NCN2
InChIInChI=1S/C5H8N4/c1-4-5(8-2-6-1)9-3-7-4/h2,7,9H,1,3H2,(H,6,8)
InChIKeyOPQBVTWBGPGUCF-UHFFFAOYSA-N
XLogP-1.06
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methyl-1,2,3,4-tetrahydropurin-6-amine
CID 171344344
Tetrahydropurine
CID 18315886
Tetrahydroimidazopyrimidine
CID 22225482
6-Tetrahydro-6-amino purine
CID 153966157
(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine
CID 126756043
N-[(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-yl]methanimine
CID 137483626
3,6,7,9-Tetrahydro-8h-purin-8-one
CID 129877601
Oiifxublbzlxnv-uhfffaoysa-
CID 23262607
4,7-dihydro-1H-purin-6-amine
CID 55284895
6-Amino-1,3,4,7-tetrahydropurine-2-thione
CID 56607768
2-methyl-2,3,4,7-tetrahydro-1H-purine
CID 67427436
6,7,8,9-tetrahydro-3H-purin-6-amine
CID 89493556

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-3H-purine?
The IUPAC name of 6,7,8,9-tetrahydro-3H-purine (CID 57306527) is 6,7,8,9-tetrahydro-3H-purine.
What is the SMILES notation for 6,7,8,9-tetrahydro-3H-purine?
The canonical SMILES for 6,7,8,9-tetrahydro-3H-purine is C1=NCC2=C(N1)NCN2.
What is the InChIKey of 6,7,8,9-tetrahydro-3H-purine?
The InChIKey is OPQBVTWBGPGUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-4-5(8-2-6-1)9-3-7-4/h2,7,9H,1,3H2,(H,6,8).
What are the key properties of 6,7,8,9-tetrahydro-3H-purine?
6,7,8,9-tetrahydro-3H-purine has a molecular weight of 124.15 g/mol, XLogP of -1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-3H-purine is sourced from PubChem (CID 57306527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).