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

C7H12N4 — CID 126557568

IUPAC6,7-dimethyl-1,2,3,6-tetrahydropurine
SMILESCC1NCNc2ncn(C)c21
InChIInChI=1S/C7H12N4/c1-5-6-7(9-3-8-5)10-4-11(6)2/h4-5,8-9H,3H2,1-2H3
InChIKeyAUSXXVSUVFNQLH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.45
Rot. Bonds

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

6,7-dimethyl-1,2,3,6-tetrahydropurine (PubChem CID 126557568) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 6,7-dimethyl-1,2,3,6-tetrahydropurine.

Molecular Properties

Compound Name6,7-dimethyl-1,2,3,6-tetrahydropurine
PubChem CID126557568
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name6,7-dimethyl-1,2,3,6-tetrahydropurine
SMILESCC1NCNc2ncn(C)c21
InChIInChI=1S/C7H12N4/c1-5-6-7(9-3-8-5)10-4-11(6)2/h4-5,8-9H,3H2,1-2H3
InChIKeyAUSXXVSUVFNQLH-UHFFFAOYSA-N
XLogP0.45
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,2,3,6-tetrahydropurine?
The IUPAC name of 6,7-dimethyl-1,2,3,6-tetrahydropurine (CID 126557568) is 6,7-dimethyl-1,2,3,6-tetrahydropurine.
What is the SMILES notation for 6,7-dimethyl-1,2,3,6-tetrahydropurine?
The canonical SMILES for 6,7-dimethyl-1,2,3,6-tetrahydropurine is CC1NCNc2ncn(C)c21.
What is the InChIKey of 6,7-dimethyl-1,2,3,6-tetrahydropurine?
The InChIKey is AUSXXVSUVFNQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-6-7(9-3-8-5)10-4-11(6)2/h4-5,8-9H,3H2,1-2H3.
What are the key properties of 6,7-dimethyl-1,2,3,6-tetrahydropurine?
6,7-dimethyl-1,2,3,6-tetrahydropurine has a molecular weight of 152.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,2,3,6-tetrahydropurine is sourced from PubChem (CID 126557568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).