9-methyl-1,2,3,4-tetrahydropurin-6-amine

C6H11N5 — CID 171344344

IUPAC9-methyl-1,2,3,4-tetrahydropurin-6-amine
SMILESCN1C=NC2=C(N)NCNC21
InChIInChI=1S/C6H11N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h3,6,8-9H,2,7H2,1H3
InChIKeyHOIOSDYQXOMEHE-UHFFFAOYSA-N
MW153.19 g/mol
LogP-1.44
Rot. Bonds

About 9-methyl-1,2,3,4-tetrahydropurin-6-amine

9-methyl-1,2,3,4-tetrahydropurin-6-amine (PubChem CID 171344344) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 9-methyl-1,2,3,4-tetrahydropurin-6-amine.

Molecular Properties

Compound Name9-methyl-1,2,3,4-tetrahydropurin-6-amine
PubChem CID171344344
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name9-methyl-1,2,3,4-tetrahydropurin-6-amine
SMILESCN1C=NC2=C(N)NCNC21
InChIInChI=1S/C6H11N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h3,6,8-9H,2,7H2,1H3
InChIKeyHOIOSDYQXOMEHE-UHFFFAOYSA-N
XLogP-1.44
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4-tetrahydropurin-6-amine?
The IUPAC name of 9-methyl-1,2,3,4-tetrahydropurin-6-amine (CID 171344344) is 9-methyl-1,2,3,4-tetrahydropurin-6-amine.
What is the SMILES notation for 9-methyl-1,2,3,4-tetrahydropurin-6-amine?
The canonical SMILES for 9-methyl-1,2,3,4-tetrahydropurin-6-amine is CN1C=NC2=C(N)NCNC21.
What is the InChIKey of 9-methyl-1,2,3,4-tetrahydropurin-6-amine?
The InChIKey is HOIOSDYQXOMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h3,6,8-9H,2,7H2,1H3.
What are the key properties of 9-methyl-1,2,3,4-tetrahydropurin-6-amine?
9-methyl-1,2,3,4-tetrahydropurin-6-amine has a molecular weight of 153.19 g/mol, XLogP of -1.44, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4-tetrahydropurin-6-amine is sourced from PubChem (CID 171344344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).