9-methyl-3,6-dihydropurin-6-amine

C6H9N5 — CID 59926192

IUPAC9-methyl-3,6-dihydropurin-6-amine
SMILESCn1cnc2c1NC=NC2N
InChIInChI=1S/C6H9N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3,5H,7H2,1H3,(H,8,9)
InChIKeySMNHXCFSUNXTDB-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.17
Rot. Bonds

About 9-methyl-3,6-dihydropurin-6-amine

9-methyl-3,6-dihydropurin-6-amine (PubChem CID 59926192) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 9-methyl-3,6-dihydropurin-6-amine.

Molecular Properties

Compound Name9-methyl-3,6-dihydropurin-6-amine
PubChem CID59926192
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name9-methyl-3,6-dihydropurin-6-amine
SMILESCn1cnc2c1NC=NC2N
InChIInChI=1S/C6H9N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3,5H,7H2,1H3,(H,8,9)
InChIKeySMNHXCFSUNXTDB-UHFFFAOYSA-N
XLogP-0.17
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,6-dihydropurin-6-amine?
The IUPAC name of 9-methyl-3,6-dihydropurin-6-amine (CID 59926192) is 9-methyl-3,6-dihydropurin-6-amine.
What is the SMILES notation for 9-methyl-3,6-dihydropurin-6-amine?
The canonical SMILES for 9-methyl-3,6-dihydropurin-6-amine is Cn1cnc2c1NC=NC2N.
What is the InChIKey of 9-methyl-3,6-dihydropurin-6-amine?
The InChIKey is SMNHXCFSUNXTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3,5H,7H2,1H3,(H,8,9).
What are the key properties of 9-methyl-3,6-dihydropurin-6-amine?
9-methyl-3,6-dihydropurin-6-amine has a molecular weight of 151.17 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,6-dihydropurin-6-amine is sourced from PubChem (CID 59926192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).