1,3-dimethyl-7,8-dihydro-2H-purine

C7H12N4 — CID 70484384

IUPAC1,3-dimethyl-7,8-dihydro-2H-purine
SMILESCN1C=C2NCN=C2N(C)C1
InChIInChI=1S/C7H12N4/c1-10-3-6-7(9-4-8-6)11(2)5-10/h3,8H,4-5H2,1-2H3
InChIKeyPNXLJYPWLIROQS-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.38
Rot. Bonds

About 1,3-dimethyl-7,8-dihydro-2H-purine

1,3-dimethyl-7,8-dihydro-2H-purine (PubChem CID 70484384) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,3-dimethyl-7,8-dihydro-2H-purine.

Molecular Properties

Compound Name1,3-dimethyl-7,8-dihydro-2H-purine
PubChem CID70484384
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1,3-dimethyl-7,8-dihydro-2H-purine
SMILESCN1C=C2NCN=C2N(C)C1
InChIInChI=1S/C7H12N4/c1-10-3-6-7(9-4-8-6)11(2)5-10/h3,8H,4-5H2,1-2H3
InChIKeyPNXLJYPWLIROQS-UHFFFAOYSA-N
XLogP-0.38
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7,8-dihydro-2H-purine?
The IUPAC name of 1,3-dimethyl-7,8-dihydro-2H-purine (CID 70484384) is 1,3-dimethyl-7,8-dihydro-2H-purine.
What is the SMILES notation for 1,3-dimethyl-7,8-dihydro-2H-purine?
The canonical SMILES for 1,3-dimethyl-7,8-dihydro-2H-purine is CN1C=C2NCN=C2N(C)C1.
What is the InChIKey of 1,3-dimethyl-7,8-dihydro-2H-purine?
The InChIKey is PNXLJYPWLIROQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-10-3-6-7(9-4-8-6)11(2)5-10/h3,8H,4-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-7,8-dihydro-2H-purine?
1,3-dimethyl-7,8-dihydro-2H-purine has a molecular weight of 152.20 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7,8-dihydro-2H-purine is sourced from PubChem (CID 70484384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).