4-methyl-1,7-dihydropurin-6-amine

C6H9N5 — CID 123132015

IUPAC4-methyl-1,7-dihydropurin-6-amine
SMILESCC12N=CNC(N)=C1NC=N2
InChIInChI=1S/C6H9N5/c1-6-4(8-2-10-6)5(7)9-3-11-6/h2-3H,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyJNOYFTMTEHAEMU-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.91
Rot. Bonds

About 4-methyl-1,7-dihydropurin-6-amine

4-methyl-1,7-dihydropurin-6-amine (PubChem CID 123132015) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-methyl-1,7-dihydropurin-6-amine.

Molecular Properties

Compound Name4-methyl-1,7-dihydropurin-6-amine
PubChem CID123132015
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name4-methyl-1,7-dihydropurin-6-amine
SMILESCC12N=CNC(N)=C1NC=N2
InChIInChI=1S/C6H9N5/c1-6-4(8-2-10-6)5(7)9-3-11-6/h2-3H,7H2,1H3,(H,8,10)(H,9,11)
InChIKeyJNOYFTMTEHAEMU-UHFFFAOYSA-N
XLogP-0.91
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,7-dihydropurin-6-amine?
The IUPAC name of 4-methyl-1,7-dihydropurin-6-amine (CID 123132015) is 4-methyl-1,7-dihydropurin-6-amine.
What is the SMILES notation for 4-methyl-1,7-dihydropurin-6-amine?
The canonical SMILES for 4-methyl-1,7-dihydropurin-6-amine is CC12N=CNC(N)=C1NC=N2.
What is the InChIKey of 4-methyl-1,7-dihydropurin-6-amine?
The InChIKey is JNOYFTMTEHAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-6-4(8-2-10-6)5(7)9-3-11-6/h2-3H,7H2,1H3,(H,8,10)(H,9,11).
What are the key properties of 4-methyl-1,7-dihydropurin-6-amine?
4-methyl-1,7-dihydropurin-6-amine has a molecular weight of 151.17 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,7-dihydropurin-6-amine is sourced from PubChem (CID 123132015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).