3-methyl-7H-purin-6-imine

C6H7N5 — CID 135398661

IUPAC3-methyl-7H-purin-6-imine
SMILES[H]/N=c1\ncn(C)c2nc[nH]c12
InChIInChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9)/b7-5-
InChIKeyZPBYVFQJHWLTFB-ALCCZGGFSA-N
MW149.16 g/mol
LogP-0.22
Rot. Bonds

About 3-methyl-7H-purin-6-imine

3-methyl-7H-purin-6-imine (PubChem CID 135398661) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 3-methyl-7H-purin-6-imine.

Molecular Properties

Compound Name3-methyl-7H-purin-6-imine
PubChem CID135398661
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name3-methyl-7H-purin-6-imine
SMILES[H]/N=c1\ncn(C)c2nc[nH]c12
InChIInChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9)/b7-5-
InChIKeyZPBYVFQJHWLTFB-ALCCZGGFSA-N
XLogP-0.22
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.22
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-(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
alpha-Sarcin (Aspergillus giganteus)
CID 165365722
6-Mercaptopurine 3-oxide
CID 3032298
5-amino-1H-imidazole-4-carbonitrile
CID 78777
7-Methyl-6-mercaptopurine
CID 3034139

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7H-purin-6-imine?
The IUPAC name of 3-methyl-7H-purin-6-imine (CID 135398661) is 3-methyl-7H-purin-6-imine.
What is the SMILES notation for 3-methyl-7H-purin-6-imine?
The canonical SMILES for 3-methyl-7H-purin-6-imine is [H]/N=c1\ncn(C)c2nc[nH]c12.
What is the InChIKey of 3-methyl-7H-purin-6-imine?
The InChIKey is ZPBYVFQJHWLTFB-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9)/b7-5-.
What are the key properties of 3-methyl-7H-purin-6-imine?
3-methyl-7H-purin-6-imine has a molecular weight of 149.16 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7H-purin-6-imine is sourced from PubChem (CID 135398661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).