1-methyl-7H-purin-6-imine

C6H7N5 — CID 135398646

IUPAC1-methyl-7H-purin-6-imine
SMILES[H]/N=c1/c2[nH]cnc2ncn1C
InChIInChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)/b7-5-
InChIKeySATCOUWSAZBIJO-ALCCZGGFSA-N
MW149.16 g/mol
LogP-0.22
Rot. Bonds

About 1-methyl-7H-purin-6-imine

1-methyl-7H-purin-6-imine (PubChem CID 135398646) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 1-methyl-7H-purin-6-imine.

Molecular Properties

Compound Name1-methyl-7H-purin-6-imine
PubChem CID135398646
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name1-methyl-7H-purin-6-imine
SMILES[H]/N=c1/c2[nH]cnc2ncn1C
InChIInChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)/b7-5-
InChIKeySATCOUWSAZBIJO-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7H-purin-6-imine?
The IUPAC name of 1-methyl-7H-purin-6-imine (CID 135398646) is 1-methyl-7H-purin-6-imine.
What is the SMILES notation for 1-methyl-7H-purin-6-imine?
The canonical SMILES for 1-methyl-7H-purin-6-imine is [H]/N=c1/c2[nH]cnc2ncn1C.
What is the InChIKey of 1-methyl-7H-purin-6-imine?
The InChIKey is SATCOUWSAZBIJO-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)/b7-5-.
What are the key properties of 1-methyl-7H-purin-6-imine?
1-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 1-methyl-7H-purin-6-imine is sourced from PubChem (CID 135398646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).