9-methyl-6-(methylamino)purine-2-carbonitrile

C8H8N6 — CID 22972476

IUPAC9-methyl-6-(methylamino)purine-2-carbonitrile
SMILESCNc1nc(C#N)nc2c1ncn2C
InChIInChI=1S/C8H8N6/c1-10-7-6-8(14(2)4-11-6)13-5(3-9)12-7/h4H,1-2H3,(H,10,12,13)
InChIKeyCDPCIIQHQLIKTI-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.28
Rot. Bonds1

About 9-methyl-6-(methylamino)purine-2-carbonitrile

9-methyl-6-(methylamino)purine-2-carbonitrile (PubChem CID 22972476) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 9-methyl-6-(methylamino)purine-2-carbonitrile.

Molecular Properties

Compound Name9-methyl-6-(methylamino)purine-2-carbonitrile
PubChem CID22972476
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name9-methyl-6-(methylamino)purine-2-carbonitrile
SMILESCNc1nc(C#N)nc2c1ncn2C
InChIInChI=1S/C8H8N6/c1-10-7-6-8(14(2)4-11-6)13-5(3-9)12-7/h4H,1-2H3,(H,10,12,13)
InChIKeyCDPCIIQHQLIKTI-UHFFFAOYSA-N
XLogP0.28
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(methylamino)purine-2-carbonitrile?
The IUPAC name of 9-methyl-6-(methylamino)purine-2-carbonitrile (CID 22972476) is 9-methyl-6-(methylamino)purine-2-carbonitrile.
What is the SMILES notation for 9-methyl-6-(methylamino)purine-2-carbonitrile?
The canonical SMILES for 9-methyl-6-(methylamino)purine-2-carbonitrile is CNc1nc(C#N)nc2c1ncn2C.
What is the InChIKey of 9-methyl-6-(methylamino)purine-2-carbonitrile?
The InChIKey is CDPCIIQHQLIKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6/c1-10-7-6-8(14(2)4-11-6)13-5(3-9)12-7/h4H,1-2H3,(H,10,12,13).
What are the key properties of 9-methyl-6-(methylamino)purine-2-carbonitrile?
9-methyl-6-(methylamino)purine-2-carbonitrile has a molecular weight of 188.19 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(methylamino)purine-2-carbonitrile is sourced from PubChem (CID 22972476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).