N,1,8-trimethyl-6,7-dihydropurin-6-amine

C8H13N5 — CID 20713596

IUPACN,1,8-trimethyl-6,7-dihydropurin-6-amine
SMILESCNC1c2[nH]c(C)nc2N=CN1C
InChIInChI=1S/C8H13N5/c1-5-11-6-7(12-5)10-4-13(3)8(6)9-2/h4,8-9H,1-3H3,(H,11,12)
InChIKeyPMZYJLTXKNWGMW-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.54
Rot. Bonds1

About N,1,8-trimethyl-6,7-dihydropurin-6-amine

N,1,8-trimethyl-6,7-dihydropurin-6-amine (PubChem CID 20713596) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is N,1,8-trimethyl-6,7-dihydropurin-6-amine.

Molecular Properties

Compound NameN,1,8-trimethyl-6,7-dihydropurin-6-amine
PubChem CID20713596
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC NameN,1,8-trimethyl-6,7-dihydropurin-6-amine
SMILESCNC1c2[nH]c(C)nc2N=CN1C
InChIInChI=1S/C8H13N5/c1-5-11-6-7(12-5)10-4-13(3)8(6)9-2/h4,8-9H,1-3H3,(H,11,12)
InChIKeyPMZYJLTXKNWGMW-UHFFFAOYSA-N
XLogP0.54
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,1,8-trimethyl-6,7-dihydropurin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1,8-trimethyl-6,7-dihydropurin-6-amine?
The IUPAC name of N,1,8-trimethyl-6,7-dihydropurin-6-amine (CID 20713596) is N,1,8-trimethyl-6,7-dihydropurin-6-amine.
What is the SMILES notation for N,1,8-trimethyl-6,7-dihydropurin-6-amine?
The canonical SMILES for N,1,8-trimethyl-6,7-dihydropurin-6-amine is CNC1c2[nH]c(C)nc2N=CN1C.
What is the InChIKey of N,1,8-trimethyl-6,7-dihydropurin-6-amine?
The InChIKey is PMZYJLTXKNWGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-5-11-6-7(12-5)10-4-13(3)8(6)9-2/h4,8-9H,1-3H3,(H,11,12).
What are the key properties of N,1,8-trimethyl-6,7-dihydropurin-6-amine?
N,1,8-trimethyl-6,7-dihydropurin-6-amine has a molecular weight of 179.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,8-trimethyl-6,7-dihydropurin-6-amine is sourced from PubChem (CID 20713596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).