3,9-dimethyl-2H-purin-6-amine

C7H11N5 — CID 21145364

IUPAC3,9-dimethyl-2H-purin-6-amine
SMILESCN1CN=C(N)c2ncn(C)c21
InChIInChI=1S/C7H11N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3H,4H2,1-2H3,(H2,8,10)
InChIKeyPDIREZWFGMUDMB-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.47
Rot. Bonds

About 3,9-dimethyl-2H-purin-6-amine

3,9-dimethyl-2H-purin-6-amine (PubChem CID 21145364) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 3,9-dimethyl-2H-purin-6-amine.

Molecular Properties

Compound Name3,9-dimethyl-2H-purin-6-amine
PubChem CID21145364
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name3,9-dimethyl-2H-purin-6-amine
SMILESCN1CN=C(N)c2ncn(C)c21
InChIInChI=1S/C7H11N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3H,4H2,1-2H3,(H2,8,10)
InChIKeyPDIREZWFGMUDMB-UHFFFAOYSA-N
XLogP-0.47
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-2H-purin-6-amine?
The IUPAC name of 3,9-dimethyl-2H-purin-6-amine (CID 21145364) is 3,9-dimethyl-2H-purin-6-amine.
What is the SMILES notation for 3,9-dimethyl-2H-purin-6-amine?
The canonical SMILES for 3,9-dimethyl-2H-purin-6-amine is CN1CN=C(N)c2ncn(C)c21.
What is the InChIKey of 3,9-dimethyl-2H-purin-6-amine?
The InChIKey is PDIREZWFGMUDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3H,4H2,1-2H3,(H2,8,10).
What are the key properties of 3,9-dimethyl-2H-purin-6-amine?
3,9-dimethyl-2H-purin-6-amine has a molecular weight of 165.20 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-2H-purin-6-amine is sourced from PubChem (CID 21145364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).