N,N-dimethyl-7H-purin-6-amine

C7H9N5 — CID 3134

IUPACN,N-dimethyl-7H-purin-6-amine
SMILESCN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
InChIKeyBVIAOQMSVZHOJM-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.42
Rot. Bonds1

About N,N-dimethyl-7H-purin-6-amine

N,N-dimethyl-7H-purin-6-amine (PubChem CID 3134) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is N,N-dimethyl-7H-purin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-7H-purin-6-amine
PubChem CID3134
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC NameN,N-dimethyl-7H-purin-6-amine
SMILESCN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
InChIKeyBVIAOQMSVZHOJM-UHFFFAOYSA-N
XLogP0.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7H-purin-6-amine?
The IUPAC name of N,N-dimethyl-7H-purin-6-amine (CID 3134) is N,N-dimethyl-7H-purin-6-amine.
What is the SMILES notation for N,N-dimethyl-7H-purin-6-amine?
The canonical SMILES for N,N-dimethyl-7H-purin-6-amine is CN(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N,N-dimethyl-7H-purin-6-amine?
The InChIKey is BVIAOQMSVZHOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11).
What are the key properties of N,N-dimethyl-7H-purin-6-amine?
N,N-dimethyl-7H-purin-6-amine has a molecular weight of 163.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7H-purin-6-amine is sourced from PubChem (CID 3134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).