1-methyl-2,3,6,7-tetrahydropurine

C6H10N4 — CID 55286638

IUPAC1-methyl-2,3,6,7-tetrahydropurine
SMILESCN1CNc2nc[nH]c2C1
InChIInChI=1S/C6H10N4/c1-10-2-5-6(9-4-10)8-3-7-5/h3,9H,2,4H2,1H3,(H,7,8)
InChIKeyJTYKQTAHLULBKG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.22
Rot. Bonds

About 1-methyl-2,3,6,7-tetrahydropurine

1-methyl-2,3,6,7-tetrahydropurine (PubChem CID 55286638) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-methyl-2,3,6,7-tetrahydropurine.

Molecular Properties

Compound Name1-methyl-2,3,6,7-tetrahydropurine
PubChem CID55286638
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-methyl-2,3,6,7-tetrahydropurine
SMILESCN1CNc2nc[nH]c2C1
InChIInChI=1S/C6H10N4/c1-10-2-5-6(9-4-10)8-3-7-5/h3,9H,2,4H2,1H3,(H,7,8)
InChIKeyJTYKQTAHLULBKG-UHFFFAOYSA-N
XLogP0.22
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyladenine
CID 135398661
3,9-Dihydro-1H-purine-2,6-dithione
CID 1268252
1-Methylthioguanine
CID 3032391
1-Methyl-6-thiopurine
CID 3614737
3-Propyladenine
CID 135435068
1-Methyladenine
CID 135398646
alpha-Sarcin (Aspergillus giganteus)
CID 165365722
3-Butyladenine
CID 135435069
3-Ethyladenine
CID 135435067
3H-Purin-6-amine, 3-pentyl-
CID 135435070
6-Imino-1,3-dimethyl-6,9-dihydro-1H-purin-2(3H)-one
CID 135460090
N-Ethyladenine
CID 13041071

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,6,7-tetrahydropurine?
The IUPAC name of 1-methyl-2,3,6,7-tetrahydropurine (CID 55286638) is 1-methyl-2,3,6,7-tetrahydropurine.
What is the SMILES notation for 1-methyl-2,3,6,7-tetrahydropurine?
The canonical SMILES for 1-methyl-2,3,6,7-tetrahydropurine is CN1CNc2nc[nH]c2C1.
What is the InChIKey of 1-methyl-2,3,6,7-tetrahydropurine?
The InChIKey is JTYKQTAHLULBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-10-2-5-6(9-4-10)8-3-7-5/h3,9H,2,4H2,1H3,(H,7,8).
What are the key properties of 1-methyl-2,3,6,7-tetrahydropurine?
1-methyl-2,3,6,7-tetrahydropurine has a molecular weight of 138.17 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,6,7-tetrahydropurine is sourced from PubChem (CID 55286638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).