1,3-dimethyl-2H-purine

C7H10N4 — CID 71327610

IUPAC1,3-dimethyl-2H-purine
SMILESCN1C=C2N=CN=C2N(C)C1
InChIInChI=1S/C7H10N4/c1-10-3-6-7(9-4-8-6)11(2)5-10/h3-4H,5H2,1-2H3
InChIKeyJBDYQIMYXSAHJZ-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.10
Rot. Bonds

About 1,3-dimethyl-2H-purine

1,3-dimethyl-2H-purine (PubChem CID 71327610) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 1,3-dimethyl-2H-purine.

Molecular Properties

Compound Name1,3-dimethyl-2H-purine
PubChem CID71327610
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name1,3-dimethyl-2H-purine
SMILESCN1C=C2N=CN=C2N(C)C1
InChIInChI=1S/C7H10N4/c1-10-3-6-7(9-4-8-6)11(2)5-10/h3-4H,5H2,1-2H3
InChIKeyJBDYQIMYXSAHJZ-UHFFFAOYSA-N
XLogP0.10
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-purine?
The IUPAC name of 1,3-dimethyl-2H-purine (CID 71327610) is 1,3-dimethyl-2H-purine.
What is the SMILES notation for 1,3-dimethyl-2H-purine?
The canonical SMILES for 1,3-dimethyl-2H-purine is CN1C=C2N=CN=C2N(C)C1.
What is the InChIKey of 1,3-dimethyl-2H-purine?
The InChIKey is JBDYQIMYXSAHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-10-3-6-7(9-4-8-6)11(2)5-10/h3-4H,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-2H-purine?
1,3-dimethyl-2H-purine has a molecular weight of 150.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-purine is sourced from PubChem (CID 71327610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).