3-methyl-2,7-dihydropurin-6-amine

C6H9N5 — CID 6397536

IUPAC3-methyl-2,7-dihydropurin-6-amine
SMILESCN1CN=C(N)c2[nH]cnc21
InChIInChI=1S/C6H9N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2H,3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyRZYMWLBHAMOGNI-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.48
Rot. Bonds

About 3-methyl-2,7-dihydropurin-6-amine

3-methyl-2,7-dihydropurin-6-amine (PubChem CID 6397536) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-methyl-2,7-dihydropurin-6-amine.

Molecular Properties

Compound Name3-methyl-2,7-dihydropurin-6-amine
PubChem CID6397536
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name3-methyl-2,7-dihydropurin-6-amine
SMILESCN1CN=C(N)c2[nH]cnc21
InChIInChI=1S/C6H9N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2H,3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyRZYMWLBHAMOGNI-UHFFFAOYSA-N
XLogP-0.48
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Mercaptopurine
CID 667490
Thioguanine
CID 2723601
6-Mercaptopurine Monohydrate
CID 2724350
3-Methyladenine
CID 135398661
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
CID 135438588
9-Ethyl-6-mercaptopurine
CID 3032484
1-Methylthioguanine
CID 3032391
6-Mercapto-9-methylpurine
CID 3034000
1-Methyl-6-thiopurine
CID 3614737
1-Methyladenine
CID 135398646
alpha-Sarcin (Aspergillus giganteus)
CID 165365722
6-Mercaptopurine 3-oxide
CID 3032298

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,7-dihydropurin-6-amine?
The IUPAC name of 3-methyl-2,7-dihydropurin-6-amine (CID 6397536) is 3-methyl-2,7-dihydropurin-6-amine.
What is the SMILES notation for 3-methyl-2,7-dihydropurin-6-amine?
The canonical SMILES for 3-methyl-2,7-dihydropurin-6-amine is CN1CN=C(N)c2[nH]cnc21.
What is the InChIKey of 3-methyl-2,7-dihydropurin-6-amine?
The InChIKey is RZYMWLBHAMOGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2H,3H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 3-methyl-2,7-dihydropurin-6-amine?
3-methyl-2,7-dihydropurin-6-amine has a molecular weight of 151.17 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,7-dihydropurin-6-amine is sourced from PubChem (CID 6397536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).